AG002L62

211110-63-3 | Acetic acid, 2-[4-[[4-hydroxy-3-(1-methylethyl)phenyl]methyl]-3,5-dimethylphenoxy]-

AG002L62

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CAS Number	211110-63-3
Catalog Number	AG002L62(AGN-PC-0QXOIO)
Chemical Name	Acetic acid, 2-[4-[[4-hydroxy-3-(1-methylethyl)phenyl]methyl]-3,5-dimethylphenoxy]-
IUPAC Name	2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetic acid
InChI	InChI=1S/C20H24O4/c1-12(2)17-9-15(5-6-19(17)21)10-18-13(3)7-16(8-14(18)4)24-11-20(22)23/h5-9,12,21H,10-11H2,1-4H3,(H,22,23)
InChI Key	QNAZTOHXCZPOSA-UHFFFAOYSA-N
MDL Number	MFCD19443713
Molecular Formula	C20H24O4
Molecular Weight	328.4022
SMILES	O=C(O)COC1=CC(C)=C(CC2=CC=C(O)C(C(C)C)=C2)C(C)=C1
UNII	XQ31741E9Q
Synonyms	(3,5-dimethyl-4-(4'-hydoxy-3'-isopropylbenzyl)phenoxy)acetic acid, GC 1 compound, GC-1, GC-1 compound, GC-1 cpd, QRX 431, QRX-431, QRX431, sobetirome, Sobetirome, 211110-63-3, GC-1, QRX 431, QRX-431, UNII-XQ31741E9Q, CHEMBL107400, GC 1, CHEBI:79988, XQ31741E9Q, {4-[4-Hydroxy-3-(1-Methylethyl)benzyl]-3,5-Dimethylphenoxy}acetic Acid, Gc 1 Compound, 2-(4-(4-hydroxy-3-isopropylbenzyl)-3,5-dimethylphenoxy)acetic acid, 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetic acid, 3imy, B72, Sobetirome (USAN), Sobetirome [USAN:INN], SCHEMBL282119, GTPL2639, GC-1; QRX-431, BCP23779, 4054AH, BDBM50115668, ZINC13475083, AKOS024458221, API0009519, CS-0956, DB07425, HY-14823, FT-0735243, A15241, C15618, D09381, W-5818, 180248-EP2272832A1, 3,5-dimethyl-4-(4''-hydroxy-3''-isopropylbenzyl)phenoxyacetic acid, [4-(4-Hydroxy-3-isopropyl-benzyl)-3,5-dimethyl-phenoxy]-acetic acid, 4-[(4-hydroxy-3-isopropylphenyl)methyl]-3,5-dimethylphenoxyacetic acid, [4-(4-Hydroxy-3-isopropyl-benzyl)-3,5-dimethyl-phenoxy]-acetic acid(GC-1), 2-[4-[[4-Hydroxy-3-(1-methylethyl)phenyl]methyl]-3,5-dimethylphenoxy]acetic acid, Acetic acid, 2-[4-[[4-hydroxy-3-(1-methylethyl)phenyl]methyl]-3,5-dimethylphenoxy]-, GC-1 compound, GC-1 cpd, D01QXY, D0K8IK, D0S9DA, B7-2/GM-CSF, QRX431, C20H24O4, CID9862248, GSK1034702, A3828, C413355, (3,5-dimethyl-4-(4'-hydoxy-3'-isopropylbenzyl)phenoxy)acetic acid,

Complexity	396
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	328.167g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	328.408g/mol
Monoisotopic Mass	328.167g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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