1-[4-[2-(2-hydroxyethyl)-1-benzothiophen-3-yl]phenyl]ethanone

C18H16O2S — CID 53301501

IUPAC1-[4-[2-(2-hydroxyethyl)-1-benzothiophen-3-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2c(CCO)sc3ccccc23)cc1
InChIInChI=1S/C18H16O2S/c1-12(20)13-6-8-14(9-7-13)18-15-4-2-3-5-16(15)21-17(18)10-11-19/h2-9,19H,10-11H2,1H3
InChIKeyNHHIJQBMTMANHM-UHFFFAOYSA-N
MW296.39 g/mol
LogP4.31
Rot. Bonds4

About 1-[4-[2-(2-hydroxyethyl)-1-benzothiophen-3-yl]phenyl]ethanone

1-[4-[2-(2-hydroxyethyl)-1-benzothiophen-3-yl]phenyl]ethanone (PubChem CID 53301501) has the molecular formula C18H16O2S and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-[4-[2-(2-hydroxyethyl)-1-benzothiophen-3-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(2-hydroxyethyl)-1-benzothiophen-3-yl]phenyl]ethanone
PubChem CID53301501
Molecular FormulaC18H16O2S
Molecular Weight296.39 g/mol
Exact Mass296.09
IUPAC Name1-[4-[2-(2-hydroxyethyl)-1-benzothiophen-3-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2c(CCO)sc3ccccc23)cc1
InChIInChI=1S/C18H16O2S/c1-12(20)13-6-8-14(9-7-13)18-15-4-2-3-5-16(15)21-17(18)10-11-19/h2-9,19H,10-11H2,1H3
InChIKeyNHHIJQBMTMANHM-UHFFFAOYSA-N
XLogP4.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[2-(2-hydroxyethyl)-1-benzothiophen-3-yl]phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-hydroxyethyl)-1-benzothiophen-3-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[2-(2-hydroxyethyl)-1-benzothiophen-3-yl]phenyl]ethanone (CID 53301501) is 1-[4-[2-(2-hydroxyethyl)-1-benzothiophen-3-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[2-(2-hydroxyethyl)-1-benzothiophen-3-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[2-(2-hydroxyethyl)-1-benzothiophen-3-yl]phenyl]ethanone is CC(=O)c1ccc(-c2c(CCO)sc3ccccc23)cc1.
What is the InChIKey of 1-[4-[2-(2-hydroxyethyl)-1-benzothiophen-3-yl]phenyl]ethanone?
The InChIKey is NHHIJQBMTMANHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2S/c1-12(20)13-6-8-14(9-7-13)18-15-4-2-3-5-16(15)21-17(18)10-11-19/h2-9,19H,10-11H2,1H3.
What are the key properties of 1-[4-[2-(2-hydroxyethyl)-1-benzothiophen-3-yl]phenyl]ethanone?
1-[4-[2-(2-hydroxyethyl)-1-benzothiophen-3-yl]phenyl]ethanone has a molecular weight of 296.39 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-hydroxyethyl)-1-benzothiophen-3-yl]phenyl]ethanone is sourced from PubChem (CID 53301501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).