(1-phenylcyclohexyl)-thiophen-3-ylmethanone

C17H18OS — CID 65099357

IUPAC(1-phenylcyclohexyl)-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C17H18OS/c18-16(14-9-12-19-13-14)17(10-5-2-6-11-17)15-7-3-1-4-8-15/h1,3-4,7-9,12-13H,2,5-6,10-11H2
InChIKeyULZKHBRCBPWHFO-UHFFFAOYSA-N
MW270.40 g/mol
LogP4.83
Rot. Bonds3

About (1-phenylcyclohexyl)-thiophen-3-ylmethanone

(1-phenylcyclohexyl)-thiophen-3-ylmethanone (PubChem CID 65099357) has the molecular formula C17H18OS and a molecular weight of 270.40 g/mol. Its IUPAC name is (1-phenylcyclohexyl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(1-phenylcyclohexyl)-thiophen-3-ylmethanone
PubChem CID65099357
Molecular FormulaC17H18OS
Molecular Weight270.40 g/mol
Exact Mass270.11
IUPAC Name(1-phenylcyclohexyl)-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C17H18OS/c18-16(14-9-12-19-13-14)17(10-5-2-6-11-17)15-7-3-1-4-8-15/h1,3-4,7-9,12-13H,2,5-6,10-11H2
InChIKeyULZKHBRCBPWHFO-UHFFFAOYSA-N
XLogP4.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1-phenylcyclohexyl)-thiophen-3-ylmethanone 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

(1-aminocyclobutyl)-thiophen-3-ylmethanone
CID 116598388
(1-piperidin-1-ylcyclopentyl)-thiophen-3-ylmethanone
CID 79057980
(4-ethylphenyl)-(1-phenylcyclopentyl)methanone
CID 63410201
(1-ethylcyclopentyl)-thiophen-3-ylmethanone
CID 114975197
N-[1-(hydroxymethyl)cyclohexyl]thiophene-3-carboxamide
CID 62520743
1-phenylcyclopentane-1-carboxamide;dihydrochloride
CID 142770378
1-thiophen-3-ylcyclopentane-1-carbonyl chloride
CID 45081256
2-[1-(thiophene-3-carbonylamino)cyclohexyl]acetic acid
CID 64670782
(3-fluoro-4-methylphenyl)-(1-phenylcyclobutyl)methanone
CID 107128300
(4-ethoxyphenyl)-(1-phenylcyclobutyl)methanone
CID 63410078
1-(1-phenylcyclopentyl)propan-1-one
CID 63080096
(2,3-difluorophenyl)-(1-phenylcyclopentyl)methanone
CID 63990466

Frequently Asked Questions

What is the IUPAC name of (1-phenylcyclohexyl)-thiophen-3-ylmethanone?
The IUPAC name of (1-phenylcyclohexyl)-thiophen-3-ylmethanone (CID 65099357) is (1-phenylcyclohexyl)-thiophen-3-ylmethanone.
What is the SMILES notation for (1-phenylcyclohexyl)-thiophen-3-ylmethanone?
The canonical SMILES for (1-phenylcyclohexyl)-thiophen-3-ylmethanone is O=C(c1ccsc1)C1(c2ccccc2)CCCCC1.
What is the InChIKey of (1-phenylcyclohexyl)-thiophen-3-ylmethanone?
The InChIKey is ULZKHBRCBPWHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18OS/c18-16(14-9-12-19-13-14)17(10-5-2-6-11-17)15-7-3-1-4-8-15/h1,3-4,7-9,12-13H,2,5-6,10-11H2.
What are the key properties of (1-phenylcyclohexyl)-thiophen-3-ylmethanone?
(1-phenylcyclohexyl)-thiophen-3-ylmethanone has a molecular weight of 270.40 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylcyclohexyl)-thiophen-3-ylmethanone is sourced from PubChem (CID 65099357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).