(6-chloro-4-phenylquinolin-3-yl)methanol

C16H12ClNO — CID 21463132

IUPAC(6-chloro-4-phenylquinolin-3-yl)methanol
SMILESOCc1cnc2ccc(Cl)cc2c1-c1ccccc1
InChIInChI=1S/C16H12ClNO/c17-13-6-7-15-14(8-13)16(12(10-19)9-18-15)11-4-2-1-3-5-11/h1-9,19H,10H2
InChIKeyPXYMRRKRGZPGNB-UHFFFAOYSA-N
MW269.73 g/mol
LogP4.05
Rot. Bonds2

About (6-chloro-4-phenylquinolin-3-yl)methanol

(6-chloro-4-phenylquinolin-3-yl)methanol (PubChem CID 21463132) has the molecular formula C16H12ClNO and a molecular weight of 269.73 g/mol. Its IUPAC name is (6-chloro-4-phenylquinolin-3-yl)methanol.

Molecular Properties

Compound Name(6-chloro-4-phenylquinolin-3-yl)methanol
PubChem CID21463132
Molecular FormulaC16H12ClNO
Molecular Weight269.73 g/mol
Exact Mass269.06
IUPAC Name(6-chloro-4-phenylquinolin-3-yl)methanol
SMILESOCc1cnc2ccc(Cl)cc2c1-c1ccccc1
InChIInChI=1S/C16H12ClNO/c17-13-6-7-15-14(8-13)16(12(10-19)9-18-15)11-4-2-1-3-5-11/h1-9,19H,10H2
InChIKeyPXYMRRKRGZPGNB-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-4-phenylquinolin-3-yl)methanol?
The IUPAC name of (6-chloro-4-phenylquinolin-3-yl)methanol (CID 21463132) is (6-chloro-4-phenylquinolin-3-yl)methanol.
What is the SMILES notation for (6-chloro-4-phenylquinolin-3-yl)methanol?
The canonical SMILES for (6-chloro-4-phenylquinolin-3-yl)methanol is OCc1cnc2ccc(Cl)cc2c1-c1ccccc1.
What is the InChIKey of (6-chloro-4-phenylquinolin-3-yl)methanol?
The InChIKey is PXYMRRKRGZPGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO/c17-13-6-7-15-14(8-13)16(12(10-19)9-18-15)11-4-2-1-3-5-11/h1-9,19H,10H2.
What are the key properties of (6-chloro-4-phenylquinolin-3-yl)methanol?
(6-chloro-4-phenylquinolin-3-yl)methanol has a molecular weight of 269.73 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-4-phenylquinolin-3-yl)methanol is sourced from PubChem (CID 21463132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).