4-Hydroxy-8-methyl-2-phenylquinoline - CAS 92855-38-4

Catalog:	BB040672
Product Name:	4-Hydroxy-8-methyl-2-phenylquinoline
CAS:	92855-38-4
Synonyms:	8-methyl-2-phenyl-1H-quinolin-4-one

Technical Data

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Computed Properties

IUPAC Name:	8-methyl-2-phenyl-1H-quinolin-4-one
Description:	4-Hydroxy-8-methyl-2-phenylquinoline (CAS# 92855-38-4) is a useful research chemical.
Molecular Weight:	235.28
Molecular Formula:	C16H13NO
Canonical SMILES:	CC1=CC=CC2=C1NC(=CC2=O)C3=CC=CC=C3
InChI:	InChI=1S/C16H13NO/c1-11-6-5-9-13-15(18)10-14(17-16(11)13)12-7-3-2-4-8-12/h2-10H,1H3,(H,17,18)
InChI Key:	NGUWFPQUQMBYJN-UHFFFAOYSA-N
Boiling Point:	402.3 °C at 760 mmHg
Density:	1.173 g/cm³
LogP:	3.91580

Publication Number	Title	Priority Date
WO-2010033466-A1	Macrocyclic inhibitors of hepatitis c protease	20080916
JP-2004043457-A	2-Substituted quinoline-8-carboxylic amide derivatives	20020522

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Related Functional Groups

Quinoline/Isoquinoline

[203506-30-3]
2-Amino-6-methoxy-3-methylquinoline
[927800-47-3]
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[30740-95-5]
6,7-Dimethoxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid hydrochloride
[892874-65-6]
2,7-Dimethylquinoline-3-carboxylic acid ethyl ester
[4965-34-8]
7-Bromo-2-methylquinoline
[891782-60-8]
7-Bromo-3,4-dihydro-2H-isoquinolin-1-one

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement:	P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, and P501
Signal Word:	Danger

Complexity:	354
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	235.099714038
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	235.099714038
Rotatable Bond Count:	1
Topological Polar Surface Area:	29.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6