1-(2-phenyl-3H-thiophen-2-yl)ethanone

C12H12OS — CID 70352090

IUPAC1-(2-phenyl-3H-thiophen-2-yl)ethanone
SMILESCC(=O)C1(c2ccccc2)CC=CS1
InChIInChI=1S/C12H12OS/c1-10(13)12(8-5-9-14-12)11-6-3-2-4-7-11/h2-7,9H,8H2,1H3
InChIKeyDBHIXKVXMASCPU-UHFFFAOYSA-N
MW204.29 g/mol
LogP3.12
Rot. Bonds2

About 1-(2-phenyl-3H-thiophen-2-yl)ethanone

1-(2-phenyl-3H-thiophen-2-yl)ethanone (PubChem CID 70352090) has the molecular formula C12H12OS and a molecular weight of 204.29 g/mol. Its IUPAC name is 1-(2-phenyl-3H-thiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-phenyl-3H-thiophen-2-yl)ethanone
PubChem CID70352090
Molecular FormulaC12H12OS
Molecular Weight204.29 g/mol
Exact Mass204.06
IUPAC Name1-(2-phenyl-3H-thiophen-2-yl)ethanone
SMILESCC(=O)C1(c2ccccc2)CC=CS1
InChIInChI=1S/C12H12OS/c1-10(13)12(8-5-9-14-12)11-6-3-2-4-7-11/h2-7,9H,8H2,1H3
InChIKeyDBHIXKVXMASCPU-UHFFFAOYSA-N
XLogP3.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-phenyl-3H-thiophen-2-yl)ethanone 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-(3-methyl-2-phenylazirin-2-yl)ethanone
CID 101479142
1-(5-methyl-2,2-diphenyl-1,3-dioxan-5-yl)ethanone
CID 90221549
(2-phenyl-3H-1,3-thiazol-2-yl) acetate
CID 67839772
(5,5-diphenylcyclopent-2-en-1-yl) acetate
CID 10016397
(1-phenylcyclopropyl) acetate
CID 121216912
ethane;1-(1-methyl-4-phenylpiperidin-4-yl)ethanone
CID 142234694
1-(5-benzoyl-1,3-dithian-5-yl)ethanone
CID 142756789
1-(2-phenylpyrrolidin-2-yl)ethanone
CID 91015511
1-(3-methylphenyl)cyclopent-3-ene-1-carboxylic acid
CID 65353598
cis-ethyl (1R,2S)-2-acetyl-2-phenylcyclopropane-1-carboxylate
CID 90361588
1-(1-phenylcyclohexa-2,4-dien-1-yl)ethanone;4-pyridin-4-ylpyridine;hydrobromide
CID 174995639
2-phenyl-3H-furan-2-carboxylic acid
CID 151281654

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyl-3H-thiophen-2-yl)ethanone?
The IUPAC name of 1-(2-phenyl-3H-thiophen-2-yl)ethanone (CID 70352090) is 1-(2-phenyl-3H-thiophen-2-yl)ethanone.
What is the SMILES notation for 1-(2-phenyl-3H-thiophen-2-yl)ethanone?
The canonical SMILES for 1-(2-phenyl-3H-thiophen-2-yl)ethanone is CC(=O)C1(c2ccccc2)CC=CS1.
What is the InChIKey of 1-(2-phenyl-3H-thiophen-2-yl)ethanone?
The InChIKey is DBHIXKVXMASCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12OS/c1-10(13)12(8-5-9-14-12)11-6-3-2-4-7-11/h2-7,9H,8H2,1H3.
What are the key properties of 1-(2-phenyl-3H-thiophen-2-yl)ethanone?
1-(2-phenyl-3H-thiophen-2-yl)ethanone has a molecular weight of 204.29 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyl-3H-thiophen-2-yl)ethanone is sourced from PubChem (CID 70352090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).