(2-chlorophenyl)-quinolin-3-ylmethanol

C16H12ClNO — CID 62099090

IUPAC(2-chlorophenyl)-quinolin-3-ylmethanol
SMILESOC(c1cnc2ccccc2c1)c1ccccc1Cl
InChIInChI=1S/C16H12ClNO/c17-14-7-3-2-6-13(14)16(19)12-9-11-5-1-4-8-15(11)18-10-12/h1-10,16,19H
InChIKeyPJUSTQTWBQPKLF-UHFFFAOYSA-N
MW269.73 g/mol
LogP3.97
Rot. Bonds2

About (2-chlorophenyl)-quinolin-3-ylmethanol

(2-chlorophenyl)-quinolin-3-ylmethanol (PubChem CID 62099090) has the molecular formula C16H12ClNO and a molecular weight of 269.73 g/mol. Its IUPAC name is (2-chlorophenyl)-quinolin-3-ylmethanol.

Molecular Properties

Compound Name(2-chlorophenyl)-quinolin-3-ylmethanol
PubChem CID62099090
Molecular FormulaC16H12ClNO
Molecular Weight269.73 g/mol
Exact Mass269.06
IUPAC Name(2-chlorophenyl)-quinolin-3-ylmethanol
SMILESOC(c1cnc2ccccc2c1)c1ccccc1Cl
InChIInChI=1S/C16H12ClNO/c17-14-7-3-2-6-13(14)16(19)12-9-11-5-1-4-8-15(11)18-10-12/h1-10,16,19H
InChIKeyPJUSTQTWBQPKLF-UHFFFAOYSA-N
XLogP3.97
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chlorophenyl)-quinolin-3-ylmethanol
CID 20794845
(2-ethoxyphenyl)-quinolin-3-ylmethanol
CID 63893818
(2,4-dimethylphenyl)-quinolin-3-ylmethanol
CID 63894313
(2-methoxy-3-pyridinyl)-quinolin-3-ylmethanol
CID 105079345
(4-methylphenyl)-quinolin-3-ylmethanol
CID 60924632
fluoro(quinolin-3-yl)methanol
CID 163892772
(2-chlorophenyl)-quinolin-7-ylmethanol
CID 81216556
(3-chloro-2-fluorophenyl)-quinolin-3-ylmethanamine
CID 64712789
(4-ethoxyphenyl)-quinolin-3-ylmethanol
CID 63893046
1-(2,5-dichlorophenyl)-N-methyl-1-quinolin-3-ylmethanamine
CID 115797603
2-(2-chloro-6-fluorophenyl)-1-quinolin-3-ylethanol
CID 63022138
(5-methylpyrazin-2-yl)-quinolin-3-ylmethanol
CID 105079360

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-quinolin-3-ylmethanol?
The IUPAC name of (2-chlorophenyl)-quinolin-3-ylmethanol (CID 62099090) is (2-chlorophenyl)-quinolin-3-ylmethanol.
What is the SMILES notation for (2-chlorophenyl)-quinolin-3-ylmethanol?
The canonical SMILES for (2-chlorophenyl)-quinolin-3-ylmethanol is OC(c1cnc2ccccc2c1)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-quinolin-3-ylmethanol?
The InChIKey is PJUSTQTWBQPKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO/c17-14-7-3-2-6-13(14)16(19)12-9-11-5-1-4-8-15(11)18-10-12/h1-10,16,19H.
What are the key properties of (2-chlorophenyl)-quinolin-3-ylmethanol?
(2-chlorophenyl)-quinolin-3-ylmethanol has a molecular weight of 269.73 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-quinolin-3-ylmethanol is sourced from PubChem (CID 62099090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).