2-(6-chloro-3-methyl-4-phenylquinolin-2-yl)-4-methylphenol

C23H18ClNO — CID 135672681

IUPAC2-(6-chloro-3-methyl-4-phenylquinolin-2-yl)-4-methylphenol
SMILESCc1ccc(O)c(-c2nc3ccc(Cl)cc3c(-c3ccccc3)c2C)c1
InChIInChI=1S/C23H18ClNO/c1-14-8-11-21(26)19(12-14)23-15(2)22(16-6-4-3-5-7-16)18-13-17(24)9-10-20(18)25-23/h3-13,26H,1-2H3
InChIKeyWUQUIICDVFDASO-UHFFFAOYSA-N
MW359.86 g/mol
LogP6.54
Rot. Bonds2

About 2-(6-chloro-3-methyl-4-phenylquinolin-2-yl)-4-methylphenol

2-(6-chloro-3-methyl-4-phenylquinolin-2-yl)-4-methylphenol (PubChem CID 135672681) has the molecular formula C23H18ClNO and a molecular weight of 359.86 g/mol. Its IUPAC name is 2-(6-chloro-3-methyl-4-phenylquinolin-2-yl)-4-methylphenol.

Molecular Properties

Compound Name2-(6-chloro-3-methyl-4-phenylquinolin-2-yl)-4-methylphenol
PubChem CID135672681
Molecular FormulaC23H18ClNO
Molecular Weight359.86 g/mol
Exact Mass359.11
IUPAC Name2-(6-chloro-3-methyl-4-phenylquinolin-2-yl)-4-methylphenol
SMILESCc1ccc(O)c(-c2nc3ccc(Cl)cc3c(-c3ccccc3)c2C)c1
InChIInChI=1S/C23H18ClNO/c1-14-8-11-21(26)19(12-14)23-15(2)22(16-6-4-3-5-7-16)18-13-17(24)9-10-20(18)25-23/h3-13,26H,1-2H3
InChIKeyWUQUIICDVFDASO-UHFFFAOYSA-N
XLogP6.54
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.86
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-4-(2-fluorophenyl)-3-methyl-2-phenylquinoline
CID 8966968
4-[6-chloro-4-(2-fluorophenyl)-3-methylquinolin-2-yl]phenol;hydrochloride
CID 135591135
6-chloro-2-ethyl-3-methyl-4-phenylquinoline
CID 71419956
4-chloro-2-(3-methylphenyl)phenol
CID 83129691
6-chloro-2-methyl-4-phenylquinoline-3-carboxylic acid
CID 626798
6-methoxy-3-methyl-2-(4-methylphenyl)-4-phenylquinoline
CID 56958029
6-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 4712139
1-(6-chloro-2,4-diphenylquinolin-3-yl)-2,2,2-trifluoroethanone
CID 2501340
7,18-dichloro-10,21-diphenyl-3,14-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,13,15(20),16,18-decaene
CID 154710038
6-chloro-2-methyl-4-phenyl-3-propylquinoline
CID 2439854
2-(2,4-dichlorophenyl)-4-methylphenol
CID 83130752
4-chloro-2-(2,5-dimethylphenyl)phenol
CID 83130826

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-methyl-4-phenylquinolin-2-yl)-4-methylphenol?
The IUPAC name of 2-(6-chloro-3-methyl-4-phenylquinolin-2-yl)-4-methylphenol (CID 135672681) is 2-(6-chloro-3-methyl-4-phenylquinolin-2-yl)-4-methylphenol.
What is the SMILES notation for 2-(6-chloro-3-methyl-4-phenylquinolin-2-yl)-4-methylphenol?
The canonical SMILES for 2-(6-chloro-3-methyl-4-phenylquinolin-2-yl)-4-methylphenol is Cc1ccc(O)c(-c2nc3ccc(Cl)cc3c(-c3ccccc3)c2C)c1.
What is the InChIKey of 2-(6-chloro-3-methyl-4-phenylquinolin-2-yl)-4-methylphenol?
The InChIKey is WUQUIICDVFDASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO/c1-14-8-11-21(26)19(12-14)23-15(2)22(16-6-4-3-5-7-16)18-13-17(24)9-10-20(18)25-23/h3-13,26H,1-2H3.
What are the key properties of 2-(6-chloro-3-methyl-4-phenylquinolin-2-yl)-4-methylphenol?
2-(6-chloro-3-methyl-4-phenylquinolin-2-yl)-4-methylphenol has a molecular weight of 359.86 g/mol, XLogP of 6.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-methyl-4-phenylquinolin-2-yl)-4-methylphenol is sourced from PubChem (CID 135672681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).