1-[5-[3-(hydroxymethyl)phenyl]thiophen-2-yl]ethanone

C13H12O2S — CID 56604483

IUPAC1-[5-[3-(hydroxymethyl)phenyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2cccc(CO)c2)s1
InChIInChI=1S/C13H12O2S/c1-9(15)12-5-6-13(16-12)11-4-2-3-10(7-11)8-14/h2-7,14H,8H2,1H3
InChIKeyGGBHMVVIFXYYAY-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.11
Rot. Bonds3

About 1-[5-[3-(hydroxymethyl)phenyl]thiophen-2-yl]ethanone

1-[5-[3-(hydroxymethyl)phenyl]thiophen-2-yl]ethanone (PubChem CID 56604483) has the molecular formula C13H12O2S and a molecular weight of 232.30 g/mol. Its IUPAC name is 1-[5-[3-(hydroxymethyl)phenyl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[3-(hydroxymethyl)phenyl]thiophen-2-yl]ethanone
PubChem CID56604483
Molecular FormulaC13H12O2S
Molecular Weight232.30 g/mol
Exact Mass232.06
IUPAC Name1-[5-[3-(hydroxymethyl)phenyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2cccc(CO)c2)s1
InChIInChI=1S/C13H12O2S/c1-9(15)12-5-6-13(16-12)11-4-2-3-10(7-11)8-14/h2-7,14H,8H2,1H3
InChIKeyGGBHMVVIFXYYAY-UHFFFAOYSA-N
XLogP3.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(hydroxymethyl)phenyl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-[3-(hydroxymethyl)phenyl]thiophen-2-yl]ethanone (CID 56604483) is 1-[5-[3-(hydroxymethyl)phenyl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-[3-(hydroxymethyl)phenyl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-[3-(hydroxymethyl)phenyl]thiophen-2-yl]ethanone is CC(=O)c1ccc(-c2cccc(CO)c2)s1.
What is the InChIKey of 1-[5-[3-(hydroxymethyl)phenyl]thiophen-2-yl]ethanone?
The InChIKey is GGBHMVVIFXYYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2S/c1-9(15)12-5-6-13(16-12)11-4-2-3-10(7-11)8-14/h2-7,14H,8H2,1H3.
What are the key properties of 1-[5-[3-(hydroxymethyl)phenyl]thiophen-2-yl]ethanone?
1-[5-[3-(hydroxymethyl)phenyl]thiophen-2-yl]ethanone has a molecular weight of 232.30 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(hydroxymethyl)phenyl]thiophen-2-yl]ethanone is sourced from PubChem (CID 56604483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).