(5-methyl-2-propan-2-ylphenyl)-phenylmethanone

C17H18O — CID 617254

IUPAC(5-methyl-2-propan-2-ylphenyl)-phenylmethanone
SMILESCc1ccc(C(C)C)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C17H18O/c1-12(2)15-10-9-13(3)11-16(15)17(18)14-7-5-4-6-8-14/h4-12H,1-3H3
InChIKeyIQGNWOGQUIWBOM-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.35
Rot. Bonds3

About (5-methyl-2-propan-2-ylphenyl)-phenylmethanone

(5-methyl-2-propan-2-ylphenyl)-phenylmethanone (PubChem CID 617254) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylphenyl)-phenylmethanone.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylphenyl)-phenylmethanone
PubChem CID617254
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name(5-methyl-2-propan-2-ylphenyl)-phenylmethanone
SMILESCc1ccc(C(C)C)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C17H18O/c1-12(2)15-10-9-13(3)11-16(15)17(18)14-7-5-4-6-8-14/h4-12H,1-3H3
InChIKeyIQGNWOGQUIWBOM-UHFFFAOYSA-N
XLogP4.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (5-methyl-2-propan-2-ylphenyl)-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

[2,5-di(propan-2-yl)phenyl]-phenylmethanone
CID 165349442
(2R)-N-(2-benzoylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 100679238
2-benzoyl-5-methylbenzamide
CID 69123799
(2-methyl-3-propan-2-ylphenyl)-phenylmethanone
CID 123852812
[3-(2,5-dimethylbenzoyl)phenyl]-phenylmethanone
CID 90191697
(2-tert-butyl-5-methylphenyl)-phenylmethanone
CID 58452150
(2-iodo-4-methylphenyl)-phenylmethanone
CID 170986222
1-(2-benzoyl-5-methylphenyl)prop-2-en-1-one
CID 141351016
4-benzoyl-6-(4-methylbenzoyl)benzene-1,3-dicarboxylic acid
CID 23586588
2-benzoyl-5-(4-methylbenzoyl)terephthalic acid
CID 23586512
S-phenyl 2-benzoyl-4-methylbenzenecarbothioate
CID 10544566
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylphenyl)-phenylmethanone?
The IUPAC name of (5-methyl-2-propan-2-ylphenyl)-phenylmethanone (CID 617254) is (5-methyl-2-propan-2-ylphenyl)-phenylmethanone.
What is the SMILES notation for (5-methyl-2-propan-2-ylphenyl)-phenylmethanone?
The canonical SMILES for (5-methyl-2-propan-2-ylphenyl)-phenylmethanone is Cc1ccc(C(C)C)c(C(=O)c2ccccc2)c1.
What is the InChIKey of (5-methyl-2-propan-2-ylphenyl)-phenylmethanone?
The InChIKey is IQGNWOGQUIWBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-12(2)15-10-9-13(3)11-16(15)17(18)14-7-5-4-6-8-14/h4-12H,1-3H3.
What are the key properties of (5-methyl-2-propan-2-ylphenyl)-phenylmethanone?
(5-methyl-2-propan-2-ylphenyl)-phenylmethanone has a molecular weight of 238.33 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylphenyl)-phenylmethanone is sourced from PubChem (CID 617254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).