1-[2-hydroxy-4-(3-sulfanylprop-1-enyl)phenyl]ethanone

C11H12O2S — CID 169455427

IUPAC1-[2-hydroxy-4-(3-sulfanylprop-1-enyl)phenyl]ethanone
SMILESCC(=O)c1ccc(C=CCS)cc1O
InChIInChI=1S/C11H12O2S/c1-8(12)10-5-4-9(3-2-6-14)7-11(10)13/h2-5,7,13-14H,6H2,1H3
InChIKeyRSFOEVLYQOYXBC-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.54
Rot. Bonds3

About 1-[2-hydroxy-4-(3-sulfanylprop-1-enyl)phenyl]ethanone

1-[2-hydroxy-4-(3-sulfanylprop-1-enyl)phenyl]ethanone (PubChem CID 169455427) has the molecular formula C11H12O2S and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-[2-hydroxy-4-(3-sulfanylprop-1-enyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-hydroxy-4-(3-sulfanylprop-1-enyl)phenyl]ethanone
PubChem CID169455427
Molecular FormulaC11H12O2S
Molecular Weight208.28 g/mol
Exact Mass208.06
IUPAC Name1-[2-hydroxy-4-(3-sulfanylprop-1-enyl)phenyl]ethanone
SMILESCC(=O)c1ccc(C=CCS)cc1O
InChIInChI=1S/C11H12O2S/c1-8(12)10-5-4-9(3-2-6-14)7-11(10)13/h2-5,7,13-14H,6H2,1H3
InChIKeyRSFOEVLYQOYXBC-UHFFFAOYSA-N
XLogP2.54
TPSA37.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-[2-hydroxy-4-(3-sulfanylprop-1-enyl)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

Related Compounds

methyl 2-hydroxy-4-(3-sulfanylprop-1-enyl)benzoate
CID 169455740
4-(4-acetyl-3-hydroxyphenyl)but-3-enal
CID 170482122
1-[2-amino-5-(3-sulfanylprop-1-enyl)phenyl]ethanone
CID 169455613
2-hydroxy-5-(3-sulfanylprop-1-enyl)benzamide
CID 169455593
methyl 2-chloro-4-(3-sulfanylprop-1-enyl)benzoate
CID 169455681
methyl 4-(3-chloroprop-1-enyl)-2-hydroxybenzoate
CID 169477870
1-[2-chloro-5-(4-sulfanylbut-1-enyl)phenyl]ethanone
CID 170478619
ethyl 2-amino-5-(3-sulfanylprop-1-enyl)benzoate
CID 169456048
(E)-3-[4-(3-sulfanylprop-1-enyl)phenyl]prop-2-enoic acid
CID 169455690
4-(4-acetyl-3-methylphenyl)but-3-enoic acid
CID 170483854
1-[4-(3-bromoprop-1-enyl)-2-chlorophenyl]ethanone
CID 169475753
4-(4-acetyl-3-chlorophenyl)but-3-enal
CID 170482150

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-4-(3-sulfanylprop-1-enyl)phenyl]ethanone?
The IUPAC name of 1-[2-hydroxy-4-(3-sulfanylprop-1-enyl)phenyl]ethanone (CID 169455427) is 1-[2-hydroxy-4-(3-sulfanylprop-1-enyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-hydroxy-4-(3-sulfanylprop-1-enyl)phenyl]ethanone?
The canonical SMILES for 1-[2-hydroxy-4-(3-sulfanylprop-1-enyl)phenyl]ethanone is CC(=O)c1ccc(C=CCS)cc1O.
What is the InChIKey of 1-[2-hydroxy-4-(3-sulfanylprop-1-enyl)phenyl]ethanone?
The InChIKey is RSFOEVLYQOYXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2S/c1-8(12)10-5-4-9(3-2-6-14)7-11(10)13/h2-5,7,13-14H,6H2,1H3.
What are the key properties of 1-[2-hydroxy-4-(3-sulfanylprop-1-enyl)phenyl]ethanone?
1-[2-hydroxy-4-(3-sulfanylprop-1-enyl)phenyl]ethanone has a molecular weight of 208.28 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-4-(3-sulfanylprop-1-enyl)phenyl]ethanone is sourced from PubChem (CID 169455427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).