(4-chlorophenyl)-(2-methylquinolin-4-yl)methanol

C17H14ClNO — CID 79234879

IUPAC(4-chlorophenyl)-(2-methylquinolin-4-yl)methanol
SMILESCc1cc(C(O)c2ccc(Cl)cc2)c2ccccc2n1
InChIInChI=1S/C17H14ClNO/c1-11-10-15(14-4-2-3-5-16(14)19-11)17(20)12-6-8-13(18)9-7-12/h2-10,17,20H,1H3
InChIKeyKTBTXASTFSPEOU-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.28
Rot. Bonds2

About (4-chlorophenyl)-(2-methylquinolin-4-yl)methanol

(4-chlorophenyl)-(2-methylquinolin-4-yl)methanol (PubChem CID 79234879) has the molecular formula C17H14ClNO and a molecular weight of 283.76 g/mol. Its IUPAC name is (4-chlorophenyl)-(2-methylquinolin-4-yl)methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-(2-methylquinolin-4-yl)methanol
PubChem CID79234879
Molecular FormulaC17H14ClNO
Molecular Weight283.76 g/mol
Exact Mass283.08
IUPAC Name(4-chlorophenyl)-(2-methylquinolin-4-yl)methanol
SMILESCc1cc(C(O)c2ccc(Cl)cc2)c2ccccc2n1
InChIInChI=1S/C17H14ClNO/c1-11-10-15(14-4-2-3-5-16(14)19-11)17(20)12-6-8-13(18)9-7-12/h2-10,17,20H,1H3
InChIKeyKTBTXASTFSPEOU-UHFFFAOYSA-N
XLogP4.28
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluoro-3-methylphenyl)-(2-methylquinolin-4-yl)methanol
CID 79233806
1-(4-chlorophenyl)-N-methyl-1-(2-methylquinolin-4-yl)methanamine
CID 105076264
N-[1-(4-chlorophenyl)ethyl]-2-methylquinolin-4-amine
CID 60716471
(S)-(4-chlorophenyl)-naphthalen-1-ylmethanol
CID 93489560
1-(7-chloro-2-methylquinolin-4-yl)ethanol
CID 82576033
1-(2-methylquinolin-4-yl)pentan-1-ol
CID 79235698
4-[1-(4-methoxyphenyl)ethyl]-2-methylquinoline
CID 123434354
(4-chlorophenyl)-(4-methylquinolin-2-yl)methanamine
CID 114754979
2-(4-methylphenyl)-2-(2-methylquinolin-4-yl)acetonitrile
CID 18802151
3-hydroxy-2,2-dimethyl-3-(2-methylquinolin-4-yl)propanenitrile
CID 79234976
3-methyl-1-(2-methylquinolin-4-yl)pentan-1-ol
CID 79235619
4,4-dimethyl-1-(2-methylquinolin-4-yl)pentan-1-ol
CID 79235538

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(2-methylquinolin-4-yl)methanol?
The IUPAC name of (4-chlorophenyl)-(2-methylquinolin-4-yl)methanol (CID 79234879) is (4-chlorophenyl)-(2-methylquinolin-4-yl)methanol.
What is the SMILES notation for (4-chlorophenyl)-(2-methylquinolin-4-yl)methanol?
The canonical SMILES for (4-chlorophenyl)-(2-methylquinolin-4-yl)methanol is Cc1cc(C(O)c2ccc(Cl)cc2)c2ccccc2n1.
What is the InChIKey of (4-chlorophenyl)-(2-methylquinolin-4-yl)methanol?
The InChIKey is KTBTXASTFSPEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO/c1-11-10-15(14-4-2-3-5-16(14)19-11)17(20)12-6-8-13(18)9-7-12/h2-10,17,20H,1H3.
What are the key properties of (4-chlorophenyl)-(2-methylquinolin-4-yl)methanol?
(4-chlorophenyl)-(2-methylquinolin-4-yl)methanol has a molecular weight of 283.76 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(2-methylquinolin-4-yl)methanol is sourced from PubChem (CID 79234879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).