3-[2-(4-methoxyphenyl)ethyl]-2-methylthian-3-ol

C15H22O2S — CID 79951268

IUPAC3-[2-(4-methoxyphenyl)ethyl]-2-methylthian-3-ol
SMILESCOc1ccc(CCC2(O)CCCSC2C)cc1
InChIInChI=1S/C15H22O2S/c1-12-15(16,9-3-11-18-12)10-8-13-4-6-14(17-2)7-5-13/h4-7,12,16H,3,8-11H2,1-2H3
InChIKeyOIPFZSXIMNKPMM-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.27
Rot. Bonds4

About 3-[2-(4-methoxyphenyl)ethyl]-2-methylthian-3-ol

3-[2-(4-methoxyphenyl)ethyl]-2-methylthian-3-ol (PubChem CID 79951268) has the molecular formula C15H22O2S and a molecular weight of 266.41 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)ethyl]-2-methylthian-3-ol.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)ethyl]-2-methylthian-3-ol
PubChem CID79951268
Molecular FormulaC15H22O2S
Molecular Weight266.41 g/mol
Exact Mass266.13
IUPAC Name3-[2-(4-methoxyphenyl)ethyl]-2-methylthian-3-ol
SMILESCOc1ccc(CCC2(O)CCCSC2C)cc1
InChIInChI=1S/C15H22O2S/c1-12-15(16,9-3-11-18-12)10-8-13-4-6-14(17-2)7-5-13/h4-7,12,16H,3,8-11H2,1-2H3
InChIKeyOIPFZSXIMNKPMM-UHFFFAOYSA-N
XLogP3.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-(4-methoxyphenyl)ethyl]-2-methylthian-3-ol 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

1-[2-(4-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-ol
CID 65444720
1-[2-(4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-ol
CID 103564336
1-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-ol
CID 80698548
3-[(2-methoxy-5-methylphenyl)methyl]-2-methylthian-3-ol
CID 79951679
2-methyl-3-(4-propylphenyl)thian-3-ol
CID 79952547
1-[2-(4-methoxyphenyl)ethyl]-2-methylcyclohexan-1-amine
CID 65444722
9-[2-(4-methoxyphenyl)ethyl]bicyclo[6.1.0]nonan-1-ol
CID 78144176
1-[2-(4-methoxyphenyl)ethyl]-3-methylcyclopentane-1-carboxylic acid
CID 79428861
1-[2-[(1R,2S)-2-chloro-1-methylcyclopropyl]ethyl]-4-methoxybenzene
CID 101110349
1-[2-[(1R,2R)-2-chloro-1-methylcyclopropyl]ethyl]-4-methoxybenzene
CID 101110346
3-(4-ethoxyphenyl)-2-methylthian-3-ol
CID 79951169
3-[2-(4-methoxyphenyl)ethyl]oxan-3-amine
CID 65445668

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)ethyl]-2-methylthian-3-ol?
The IUPAC name of 3-[2-(4-methoxyphenyl)ethyl]-2-methylthian-3-ol (CID 79951268) is 3-[2-(4-methoxyphenyl)ethyl]-2-methylthian-3-ol.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)ethyl]-2-methylthian-3-ol?
The canonical SMILES for 3-[2-(4-methoxyphenyl)ethyl]-2-methylthian-3-ol is COc1ccc(CCC2(O)CCCSC2C)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenyl)ethyl]-2-methylthian-3-ol?
The InChIKey is OIPFZSXIMNKPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2S/c1-12-15(16,9-3-11-18-12)10-8-13-4-6-14(17-2)7-5-13/h4-7,12,16H,3,8-11H2,1-2H3.
What are the key properties of 3-[2-(4-methoxyphenyl)ethyl]-2-methylthian-3-ol?
3-[2-(4-methoxyphenyl)ethyl]-2-methylthian-3-ol has a molecular weight of 266.41 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)ethyl]-2-methylthian-3-ol is sourced from PubChem (CID 79951268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).