[6-(2-fluoro-4-methylphenyl)-2,3,4-trimethylphenyl]-phenylmethanone

C23H21FO — CID 59935298

IUPAC[6-(2-fluoro-4-methylphenyl)-2,3,4-trimethylphenyl]-phenylmethanone
SMILESCc1ccc(-c2cc(C)c(C)c(C)c2C(=O)c2ccccc2)c(F)c1
InChIInChI=1S/C23H21FO/c1-14-10-11-19(21(24)12-14)20-13-15(2)16(3)17(4)22(20)23(25)18-8-6-5-7-9-18/h5-13H,1-4H3
InChIKeyJCLKTTRGUUMLHP-UHFFFAOYSA-N
MW332.42 g/mol
LogP5.96
Rot. Bonds3

About [6-(2-fluoro-4-methylphenyl)-2,3,4-trimethylphenyl]-phenylmethanone

[6-(2-fluoro-4-methylphenyl)-2,3,4-trimethylphenyl]-phenylmethanone (PubChem CID 59935298) has the molecular formula C23H21FO and a molecular weight of 332.42 g/mol. Its IUPAC name is [6-(2-fluoro-4-methylphenyl)-2,3,4-trimethylphenyl]-phenylmethanone.

Molecular Properties

Compound Name[6-(2-fluoro-4-methylphenyl)-2,3,4-trimethylphenyl]-phenylmethanone
PubChem CID59935298
Molecular FormulaC23H21FO
Molecular Weight332.42 g/mol
Exact Mass332.16
IUPAC Name[6-(2-fluoro-4-methylphenyl)-2,3,4-trimethylphenyl]-phenylmethanone
SMILESCc1ccc(-c2cc(C)c(C)c(C)c2C(=O)c2ccccc2)c(F)c1
InChIInChI=1S/C23H21FO/c1-14-10-11-19(21(24)12-14)20-13-15(2)16(3)17(4)22(20)23(25)18-8-6-5-7-9-18/h5-13H,1-4H3
InChIKeyJCLKTTRGUUMLHP-UHFFFAOYSA-N
XLogP5.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.42
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze [6-(2-fluoro-4-methylphenyl)-2,3,4-trimethylphenyl]-phenylmethanone with MolForge

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

Launch Full Analysis

Related Compounds

2-fluoro-1-(2-fluorophenyl)-4-methylbenzene
CID 46313956
5-(2-fluoro-4-methylphenyl)-1,2,3-trimethylbenzene
CID 20683371
ethane;phenyl-(2,4,6-trimethylphenyl)methanone
CID 90795600
(2-hydroxy-3,4,5,6-tetramethylphenyl)-phenylmethanone
CID 174405898
1-(2,5-dimethylphenyl)-2-fluoro-4-methylbenzene
CID 138652236
[3-(2,5-dimethylbenzoyl)phenyl]-phenylmethanone
CID 90191697
(1-fluoro-7-methyl-3,4-dihydronaphthalen-2-yl)-phenylmethanone
CID 102255483
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
phenyl-(2,3,6-trimethylphenyl)methanone
CID 14151231
3-benzoyl-2,4,6-trimethylbenzoic acid
CID 90027498
2-benzoyl-N,N-difluoro-4-methylbenzenesulfonamide
CID 172558196
2-benzoyl-5-methylbenzamide
CID 69123799

Frequently Asked Questions

What is the IUPAC name of [6-(2-fluoro-4-methylphenyl)-2,3,4-trimethylphenyl]-phenylmethanone?
The IUPAC name of [6-(2-fluoro-4-methylphenyl)-2,3,4-trimethylphenyl]-phenylmethanone (CID 59935298) is [6-(2-fluoro-4-methylphenyl)-2,3,4-trimethylphenyl]-phenylmethanone.
What is the SMILES notation for [6-(2-fluoro-4-methylphenyl)-2,3,4-trimethylphenyl]-phenylmethanone?
The canonical SMILES for [6-(2-fluoro-4-methylphenyl)-2,3,4-trimethylphenyl]-phenylmethanone is Cc1ccc(-c2cc(C)c(C)c(C)c2C(=O)c2ccccc2)c(F)c1.
What is the InChIKey of [6-(2-fluoro-4-methylphenyl)-2,3,4-trimethylphenyl]-phenylmethanone?
The InChIKey is JCLKTTRGUUMLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FO/c1-14-10-11-19(21(24)12-14)20-13-15(2)16(3)17(4)22(20)23(25)18-8-6-5-7-9-18/h5-13H,1-4H3.
What are the key properties of [6-(2-fluoro-4-methylphenyl)-2,3,4-trimethylphenyl]-phenylmethanone?
[6-(2-fluoro-4-methylphenyl)-2,3,4-trimethylphenyl]-phenylmethanone has a molecular weight of 332.42 g/mol, XLogP of 5.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-fluoro-4-methylphenyl)-2,3,4-trimethylphenyl]-phenylmethanone is sourced from PubChem (CID 59935298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).