(2-methyl-3-propan-2-ylphenyl)-phenylmethanone

C17H18O — CID 123852812

IUPAC(2-methyl-3-propan-2-ylphenyl)-phenylmethanone
SMILESCc1c(C(=O)c2ccccc2)cccc1C(C)C
InChIInChI=1S/C17H18O/c1-12(2)15-10-7-11-16(13(15)3)17(18)14-8-5-4-6-9-14/h4-12H,1-3H3
InChIKeyDSVSLOMYGTWVLH-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.35
Rot. Bonds3

About (2-methyl-3-propan-2-ylphenyl)-phenylmethanone

(2-methyl-3-propan-2-ylphenyl)-phenylmethanone (PubChem CID 123852812) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is (2-methyl-3-propan-2-ylphenyl)-phenylmethanone.

Molecular Properties

Compound Name(2-methyl-3-propan-2-ylphenyl)-phenylmethanone
PubChem CID123852812
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name(2-methyl-3-propan-2-ylphenyl)-phenylmethanone
SMILESCc1c(C(=O)c2ccccc2)cccc1C(C)C
InChIInChI=1S/C17H18O/c1-12(2)15-10-7-11-16(13(15)3)17(18)14-8-5-4-6-9-14/h4-12H,1-3H3
InChIKeyDSVSLOMYGTWVLH-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 (2-methyl-3-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

(5-methyl-2-propan-2-ylphenyl)-phenylmethanone
CID 617254
3-benzoyl-2-methylbenzoate
CID 7723745
3-(2-benzoylphenyl)butan-2-one
CID 69061840
[2,5-di(propan-2-yl)phenyl]-phenylmethanone
CID 165349442
[2,3-di(butan-2-yl)phenyl]-phenylmethanone
CID 67337548
(2-butan-2-ylphenyl)-phenylmethanone;hydrochloride
CID 23128537
(4-methoxyphenyl)-(2-propan-2-ylphenyl)methanone
CID 23404431
1,2-bis(2-propan-2-ylphenyl)ethane-1,2-dione
CID 67945637
(2,3-dimethyl-4-phenylsulfanylphenyl)-phenylmethanone
CID 175329078
(2-methyl-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone
CID 58290282
4-(2,3-dimethylbenzoyl)benzoic acid
CID 175457920
2-(2-benzoylphenyl)-1-(2,3-dimethylphenyl)ethanone
CID 175001099

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-propan-2-ylphenyl)-phenylmethanone?
The IUPAC name of (2-methyl-3-propan-2-ylphenyl)-phenylmethanone (CID 123852812) is (2-methyl-3-propan-2-ylphenyl)-phenylmethanone.
What is the SMILES notation for (2-methyl-3-propan-2-ylphenyl)-phenylmethanone?
The canonical SMILES for (2-methyl-3-propan-2-ylphenyl)-phenylmethanone is Cc1c(C(=O)c2ccccc2)cccc1C(C)C.
What is the InChIKey of (2-methyl-3-propan-2-ylphenyl)-phenylmethanone?
The InChIKey is DSVSLOMYGTWVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-12(2)15-10-7-11-16(13(15)3)17(18)14-8-5-4-6-9-14/h4-12H,1-3H3.
What are the key properties of (2-methyl-3-propan-2-ylphenyl)-phenylmethanone?
(2-methyl-3-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 (2-methyl-3-propan-2-ylphenyl)-phenylmethanone is sourced from PubChem (CID 123852812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).