1-(3-methoxyphenyl)sulfanylethanol

C9H12O2S — CID 53443542

IUPAC1-(3-methoxyphenyl)sulfanylethanol
SMILESCOc1cccc(SC(C)O)c1
InChIInChI=1S/C9H12O2S/c1-7(10)12-9-5-3-4-8(6-9)11-2/h3-7,10H,1-2H3
InChIKeyCOKVPFWSQDNIQJ-UHFFFAOYSA-N
MW184.26 g/mol
LogP2.13
Rot. Bonds3

About 1-(3-methoxyphenyl)sulfanylethanol

1-(3-methoxyphenyl)sulfanylethanol (PubChem CID 53443542) has the molecular formula C9H12O2S and a molecular weight of 184.26 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)sulfanylethanol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)sulfanylethanol
PubChem CID53443542
Molecular FormulaC9H12O2S
Molecular Weight184.26 g/mol
Exact Mass184.06
IUPAC Name1-(3-methoxyphenyl)sulfanylethanol
SMILESCOc1cccc(SC(C)O)c1
InChIInChI=1S/C9H12O2S/c1-7(10)12-9-5-3-4-8(6-9)11-2/h3-7,10H,1-2H3
InChIKeyCOKVPFWSQDNIQJ-UHFFFAOYSA-N
XLogP2.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(3-methoxyphenyl)sulfanylethanol 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

(2R)-1-(3-methoxyphenyl)sulfanylpropan-2-ol
CID 106933261
2-(3-methoxyphenyl)sulfanylpropanedioic acid
CID 19596217
3-(3-methoxyphenyl)sulfanyl-N-methylbutan-2-amine
CID 64621459
1-[2-(3-methoxyphenyl)sulfanylphenyl]ethanol
CID 15115029
N-[2-(3-methoxyphenyl)sulfanylpropyl]acetamide
CID 46935149
3-(3-methoxyphenyl)sulfanyl-2-methylpropanoic acid
CID 43538137
(2R)-N-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropanamide
CID 35041164
(2R)-2-(3-methoxyphenyl)sulfanyl-N-propylpropanamide
CID 94809014
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539
3-(3-methoxyphenyl)sulfanylpentan-1-amine
CID 43530332
N-benzhydryl-2-(3-methoxyphenyl)sulfanylpropanamide
CID 55546559
(2S)-2-(4-bromophenyl)-2-(3-methoxyphenyl)sulfanylacetaldehyde
CID 135263707

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)sulfanylethanol?
The IUPAC name of 1-(3-methoxyphenyl)sulfanylethanol (CID 53443542) is 1-(3-methoxyphenyl)sulfanylethanol.
What is the SMILES notation for 1-(3-methoxyphenyl)sulfanylethanol?
The canonical SMILES for 1-(3-methoxyphenyl)sulfanylethanol is COc1cccc(SC(C)O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)sulfanylethanol?
The InChIKey is COKVPFWSQDNIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2S/c1-7(10)12-9-5-3-4-8(6-9)11-2/h3-7,10H,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)sulfanylethanol?
1-(3-methoxyphenyl)sulfanylethanol has a molecular weight of 184.26 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)sulfanylethanol is sourced from PubChem (CID 53443542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).