[3-(4-fluorophenyl)quinolin-2-yl]-phenylmethanol

C22H16FNO — CID 90670600

IUPAC[3-(4-fluorophenyl)quinolin-2-yl]-phenylmethanol
SMILESOC(c1ccccc1)c1nc2ccccc2cc1-c1ccc(F)cc1
InChIInChI=1S/C22H16FNO/c23-18-12-10-15(11-13-18)19-14-17-8-4-5-9-20(17)24-21(19)22(25)16-6-2-1-3-7-16/h1-14,22,25H
InChIKeyGOSGVZPGWPVDGF-UHFFFAOYSA-N
MW329.37 g/mol
LogP5.12
Rot. Bonds3

About [3-(4-fluorophenyl)quinolin-2-yl]-phenylmethanol

[3-(4-fluorophenyl)quinolin-2-yl]-phenylmethanol (PubChem CID 90670600) has the molecular formula C22H16FNO and a molecular weight of 329.37 g/mol. Its IUPAC name is [3-(4-fluorophenyl)quinolin-2-yl]-phenylmethanol.

Molecular Properties

Compound Name[3-(4-fluorophenyl)quinolin-2-yl]-phenylmethanol
PubChem CID90670600
Molecular FormulaC22H16FNO
Molecular Weight329.37 g/mol
Exact Mass329.12
IUPAC Name[3-(4-fluorophenyl)quinolin-2-yl]-phenylmethanol
SMILESOC(c1ccccc1)c1nc2ccccc2cc1-c1ccc(F)cc1
InChIInChI=1S/C22H16FNO/c23-18-12-10-15(11-13-18)19-14-17-8-4-5-9-20(17)24-21(19)22(25)16-6-2-1-3-7-16/h1-14,22,25H
InChIKeyGOSGVZPGWPVDGF-UHFFFAOYSA-N
XLogP5.12
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.37
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-(4-fluorophenyl)quinolin-2-yl]-phenylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)quinolin-2-yl]-phenylmethanol?
The IUPAC name of [3-(4-fluorophenyl)quinolin-2-yl]-phenylmethanol (CID 90670600) is [3-(4-fluorophenyl)quinolin-2-yl]-phenylmethanol.
What is the SMILES notation for [3-(4-fluorophenyl)quinolin-2-yl]-phenylmethanol?
The canonical SMILES for [3-(4-fluorophenyl)quinolin-2-yl]-phenylmethanol is OC(c1ccccc1)c1nc2ccccc2cc1-c1ccc(F)cc1.
What is the InChIKey of [3-(4-fluorophenyl)quinolin-2-yl]-phenylmethanol?
The InChIKey is GOSGVZPGWPVDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FNO/c23-18-12-10-15(11-13-18)19-14-17-8-4-5-9-20(17)24-21(19)22(25)16-6-2-1-3-7-16/h1-14,22,25H.
What are the key properties of [3-(4-fluorophenyl)quinolin-2-yl]-phenylmethanol?
[3-(4-fluorophenyl)quinolin-2-yl]-phenylmethanol has a molecular weight of 329.37 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)quinolin-2-yl]-phenylmethanol is sourced from PubChem (CID 90670600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).