| CAS Number | 2165340-32-7 |
| Catalog Number | AG01ENHK(AGN-PC-3H45LH) |
| Chemical Name | 2-Methyl-4-(7-Methoxy-4-Quinolinyl)Phenol |
| IUPAC Name | 4-(7-methoxyquinolin-4-yl)-2-methylphenol |
| InChI | InChI=1S/C17H15NO2/c1-11-9-12(3-6-17(11)19)14-7-8-18-16-10-13(20-2)4-5-15(14)16/h3-10,19H,1-2H3 |
| InChI Key | HNYBTVKYLVLWCB-UHFFFAOYSA-N |
| MDL Number | MFCD31689252 |
| Molecular Formula | C17H15NO2 |
| Molecular Weight | 265.3065 |
| SMILES | COC1=CC=C2C(=CC=NC2=C1)C1=CC(=C(C=C1)O)C |
| Synonyms | CU-CPT-9a,
2165340-32-7,
2-Methyl-4-(7-methoxy-4-quinolinyl)phenol,
4-(7-methoxyquinolin-4-yl)-2-methyl-phenol,
CU CPT 9a,
BCP29122,
HY-112667,
4-(7-Methoxy-4-quinolinyl)-2-methylphenol,
4-(7-methoxyquinolin-4-yl)-2-methylphenol,
AK00779581,
CS-0059157,
2-Methyl-4-(7-methoxyl-4-quinolinyl)-phenol,
4-(7-methoxy-1H-quinolin-4-ylidene)-2-methylcyclohexa-2,5-dien-1-one,
7VC,
CU-CPT-9b,
ACN-053203,
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| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.312g/mol |
| Monoisotopic Mass | 265.11g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
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