(4-chlorophenyl)-quinolin-3-ylmethanol

C16H12ClNO — CID 20794845

IUPAC(4-chlorophenyl)-quinolin-3-ylmethanol
SMILESOC(c1ccc(Cl)cc1)c1cnc2ccccc2c1
InChIInChI=1S/C16H12ClNO/c17-14-7-5-11(6-8-14)16(19)13-9-12-3-1-2-4-15(12)18-10-13/h1-10,16,19H
InChIKeyDBPROCQKLRFVMU-UHFFFAOYSA-N
MW269.73 g/mol
LogP3.97
Rot. Bonds2

About (4-chlorophenyl)-quinolin-3-ylmethanol

(4-chlorophenyl)-quinolin-3-ylmethanol (PubChem CID 20794845) has the molecular formula C16H12ClNO and a molecular weight of 269.73 g/mol. Its IUPAC name is (4-chlorophenyl)-quinolin-3-ylmethanol.

Molecular Properties

Compound Name(4-chlorophenyl)-quinolin-3-ylmethanol
PubChem CID20794845
Molecular FormulaC16H12ClNO
Molecular Weight269.73 g/mol
Exact Mass269.06
IUPAC Name(4-chlorophenyl)-quinolin-3-ylmethanol
SMILESOC(c1ccc(Cl)cc1)c1cnc2ccccc2c1
InChIInChI=1S/C16H12ClNO/c17-14-7-5-11(6-8-14)16(19)13-9-12-3-1-2-4-15(12)18-10-13/h1-10,16,19H
InChIKeyDBPROCQKLRFVMU-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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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-quinolin-3-ylmethanol?
The IUPAC name of (4-chlorophenyl)-quinolin-3-ylmethanol (CID 20794845) is (4-chlorophenyl)-quinolin-3-ylmethanol.
What is the SMILES notation for (4-chlorophenyl)-quinolin-3-ylmethanol?
The canonical SMILES for (4-chlorophenyl)-quinolin-3-ylmethanol is OC(c1ccc(Cl)cc1)c1cnc2ccccc2c1.
What is the InChIKey of (4-chlorophenyl)-quinolin-3-ylmethanol?
The InChIKey is DBPROCQKLRFVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO/c17-14-7-5-11(6-8-14)16(19)13-9-12-3-1-2-4-15(12)18-10-13/h1-10,16,19H.
What are the key properties of (4-chlorophenyl)-quinolin-3-ylmethanol?
(4-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 (4-chlorophenyl)-quinolin-3-ylmethanol is sourced from PubChem (CID 20794845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).