2-(2-hydroxy-3,4-dimethoxyphenyl)sulfanyl-1-phenylethanone

C16H16O4S — CID 91880310

IUPAC2-(2-hydroxy-3,4-dimethoxyphenyl)sulfanyl-1-phenylethanone
SMILESCOc1ccc(SCC(=O)c2ccccc2)c(O)c1OC
InChIInChI=1S/C16H16O4S/c1-19-13-8-9-14(15(18)16(13)20-2)21-10-12(17)11-6-4-3-5-7-11/h3-9,18H,10H2,1-2H3
InChIKeyYNDVIRHZSIFJBD-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.38
Rot. Bonds6

About 2-(2-hydroxy-3,4-dimethoxyphenyl)sulfanyl-1-phenylethanone

2-(2-hydroxy-3,4-dimethoxyphenyl)sulfanyl-1-phenylethanone (PubChem CID 91880310) has the molecular formula C16H16O4S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-(2-hydroxy-3,4-dimethoxyphenyl)sulfanyl-1-phenylethanone.

Molecular Properties

Compound Name2-(2-hydroxy-3,4-dimethoxyphenyl)sulfanyl-1-phenylethanone
PubChem CID91880310
Molecular FormulaC16H16O4S
Molecular Weight304.37 g/mol
Exact Mass304.08
IUPAC Name2-(2-hydroxy-3,4-dimethoxyphenyl)sulfanyl-1-phenylethanone
SMILESCOc1ccc(SCC(=O)c2ccccc2)c(O)c1OC
InChIInChI=1S/C16H16O4S/c1-19-13-8-9-14(15(18)16(13)20-2)21-10-12(17)11-6-4-3-5-7-11/h3-9,18H,10H2,1-2H3
InChIKeyYNDVIRHZSIFJBD-UHFFFAOYSA-N
XLogP3.38
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-hydroxy-3,4-dimethoxyphenyl)sulfanyl-1-phenylethanone 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

2-(3,4-dimethoxy-2-methylphenyl)sulfanyl-1-phenylethanone
CID 91880309
1-phenyl-2-(2,3,4-trimethoxyphenyl)ethanone
CID 10108046
2-(2-methoxyphenyl)sulfanyl-1-(4-methylsulfanylphenyl)ethanone
CID 61292075
1,5-diphenyl-3-(3,4,5-trimethoxyphenyl)pentane-1,5-dione
CID 2731026
1-(3-bromo-4-methoxyphenyl)-2-(2-bromophenyl)sulfanylethanone
CID 43231211
4-[2-(2-methoxyphenyl)sulfanylacetyl]benzonitrile
CID 61290551
(2-benzoyl-3,4-dimethoxyphenyl)-phenylmethanone
CID 175021550
2-methoxy-5-(2-phenylsulfanylacetyl)benzoic acid
CID 82052354
[2-(hydroxymethyl)-3,4-dimethoxyphenyl]-phenylmethanone
CID 58297973
2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone
CID 1164106
1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)sulfanylethanone
CID 79700591
3-(2-hydroxy-3,4-dimethoxyphenyl)-3-oxopropanal
CID 91299135

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3,4-dimethoxyphenyl)sulfanyl-1-phenylethanone?
The IUPAC name of 2-(2-hydroxy-3,4-dimethoxyphenyl)sulfanyl-1-phenylethanone (CID 91880310) is 2-(2-hydroxy-3,4-dimethoxyphenyl)sulfanyl-1-phenylethanone.
What is the SMILES notation for 2-(2-hydroxy-3,4-dimethoxyphenyl)sulfanyl-1-phenylethanone?
The canonical SMILES for 2-(2-hydroxy-3,4-dimethoxyphenyl)sulfanyl-1-phenylethanone is COc1ccc(SCC(=O)c2ccccc2)c(O)c1OC.
What is the InChIKey of 2-(2-hydroxy-3,4-dimethoxyphenyl)sulfanyl-1-phenylethanone?
The InChIKey is YNDVIRHZSIFJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4S/c1-19-13-8-9-14(15(18)16(13)20-2)21-10-12(17)11-6-4-3-5-7-11/h3-9,18H,10H2,1-2H3.
What are the key properties of 2-(2-hydroxy-3,4-dimethoxyphenyl)sulfanyl-1-phenylethanone?
2-(2-hydroxy-3,4-dimethoxyphenyl)sulfanyl-1-phenylethanone has a molecular weight of 304.37 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3,4-dimethoxyphenyl)sulfanyl-1-phenylethanone is sourced from PubChem (CID 91880310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).