1-[3-(2-methylpropyl)phenyl]-2-phenylsulfanylethanone

C18H20OS — CID 116543260

IUPAC1-[3-(2-methylpropyl)phenyl]-2-phenylsulfanylethanone
SMILESCC(C)Cc1cccc(C(=O)CSc2ccccc2)c1
InChIInChI=1S/C18H20OS/c1-14(2)11-15-7-6-8-16(12-15)18(19)13-20-17-9-4-3-5-10-17/h3-10,12,14H,11,13H2,1-2H3
InChIKeyGVVQDPFNKCGZIZ-UHFFFAOYSA-N
MW284.42 g/mol
LogP4.86
Rot. Bonds6

About 1-[3-(2-methylpropyl)phenyl]-2-phenylsulfanylethanone

1-[3-(2-methylpropyl)phenyl]-2-phenylsulfanylethanone (PubChem CID 116543260) has the molecular formula C18H20OS and a molecular weight of 284.42 g/mol. Its IUPAC name is 1-[3-(2-methylpropyl)phenyl]-2-phenylsulfanylethanone.

Molecular Properties

Compound Name1-[3-(2-methylpropyl)phenyl]-2-phenylsulfanylethanone
PubChem CID116543260
Molecular FormulaC18H20OS
Molecular Weight284.42 g/mol
Exact Mass284.12
IUPAC Name1-[3-(2-methylpropyl)phenyl]-2-phenylsulfanylethanone
SMILESCC(C)Cc1cccc(C(=O)CSc2ccccc2)c1
InChIInChI=1S/C18H20OS/c1-14(2)11-15-7-6-8-16(12-15)18(19)13-20-17-9-4-3-5-10-17/h3-10,12,14H,11,13H2,1-2H3
InChIKeyGVVQDPFNKCGZIZ-UHFFFAOYSA-N
XLogP4.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[3-(2-methylpropyl)phenyl]-2-phenylsulfanylethanone 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-(2-fluorophenyl)sulfanyl-1-[3-(2-methylpropyl)phenyl]ethanone
CID 116543307
1-(3-bromophenyl)-2-phenylsulfanylethanone
CID 43413344
2-amino-1-[3-(2-methylpropyl)phenyl]-2-phenylethanone
CID 116551357
2-(2-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone
CID 116543144
(2R)-2-amino-1-[3-(2-methylpropyl)phenyl]-2-phenylethanone
CID 104891234
1-[3-(2-methylpropyl)phenyl]-2-methylsulfonylethanone
CID 115812316
3-(2-methylpropyl)benzamide
CID 23130390
2-(2,6-dichlorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone
CID 116543159
3-amino-4-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-one
CID 116606467
1-[3-(2-methylpropyl)phenyl]hexan-1-one
CID 115812383
3-methoxy-1-[3-(2-methylpropyl)phenyl]propan-1-one
CID 116543141
2-(2-methoxyphenyl)-1-[3-(2-methylpropyl)phenyl]ethanone
CID 116543131

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpropyl)phenyl]-2-phenylsulfanylethanone?
The IUPAC name of 1-[3-(2-methylpropyl)phenyl]-2-phenylsulfanylethanone (CID 116543260) is 1-[3-(2-methylpropyl)phenyl]-2-phenylsulfanylethanone.
What is the SMILES notation for 1-[3-(2-methylpropyl)phenyl]-2-phenylsulfanylethanone?
The canonical SMILES for 1-[3-(2-methylpropyl)phenyl]-2-phenylsulfanylethanone is CC(C)Cc1cccc(C(=O)CSc2ccccc2)c1.
What is the InChIKey of 1-[3-(2-methylpropyl)phenyl]-2-phenylsulfanylethanone?
The InChIKey is GVVQDPFNKCGZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20OS/c1-14(2)11-15-7-6-8-16(12-15)18(19)13-20-17-9-4-3-5-10-17/h3-10,12,14H,11,13H2,1-2H3.
What are the key properties of 1-[3-(2-methylpropyl)phenyl]-2-phenylsulfanylethanone?
1-[3-(2-methylpropyl)phenyl]-2-phenylsulfanylethanone has a molecular weight of 284.42 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylpropyl)phenyl]-2-phenylsulfanylethanone is sourced from PubChem (CID 116543260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).