1-(2,5-dimethylphenyl)-2-(3-methylphenyl)sulfanylethanol

C17H20OS — CID 66088132

IUPAC1-(2,5-dimethylphenyl)-2-(3-methylphenyl)sulfanylethanol
SMILESCc1cccc(SCC(O)c2cc(C)ccc2C)c1
InChIInChI=1S/C17H20OS/c1-12-5-4-6-15(9-12)19-11-17(18)16-10-13(2)7-8-14(16)3/h4-10,17-18H,11H2,1-3H3
InChIKeyXSEMOALGPXQTQT-UHFFFAOYSA-N
MW272.41 g/mol
LogP4.44
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-2-(3-methylphenyl)sulfanylethanol

1-(2,5-dimethylphenyl)-2-(3-methylphenyl)sulfanylethanol (PubChem CID 66088132) has the molecular formula C17H20OS and a molecular weight of 272.41 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-(3-methylphenyl)sulfanylethanol.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-(3-methylphenyl)sulfanylethanol
PubChem CID66088132
Molecular FormulaC17H20OS
Molecular Weight272.41 g/mol
Exact Mass272.12
IUPAC Name1-(2,5-dimethylphenyl)-2-(3-methylphenyl)sulfanylethanol
SMILESCc1cccc(SCC(O)c2cc(C)ccc2C)c1
InChIInChI=1S/C17H20OS/c1-12-5-4-6-15(9-12)19-11-17(18)16-10-13(2)7-8-14(16)3/h4-10,17-18H,11H2,1-3H3
InChIKeyXSEMOALGPXQTQT-UHFFFAOYSA-N
XLogP4.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,5-dimethylphenyl)-2-(3-methylphenyl)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

2-(3-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanol
CID 102831390
1-(2,5-dimethylphenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine
CID 64625685
1-(3-fluoro-4-methylphenyl)-2-(3-methylphenyl)sulfanylethanol
CID 107128531
1-(2,5-dimethylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-ol
CID 66088143
2-(3-bromophenyl)sulfanyl-1-(2,4-dimethylphenyl)ethanol
CID 66161169
1-(2,5-dimethylphenyl)-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 64627095
1-(3-methylphenyl)sulfanylpropan-2-ol
CID 61244165
1-(3-aminophenyl)-2-(3-methylphenyl)sulfanylethanol
CID 62267411
2-(3-chlorophenyl)sulfanyl-1-(5-fluoro-2-methylphenyl)ethanol
CID 66148548
1-(2-fluoro-5-methylphenyl)-2-phenylsulfanylethanol
CID 65141877
2-(3-methylphenyl)sulfanyl-1-thiophen-3-ylethanol
CID 66086004
2-(3-fluorophenyl)sulfanyl-1-(2-methylphenyl)ethanol
CID 66071238

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-(3-methylphenyl)sulfanylethanol?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-(3-methylphenyl)sulfanylethanol (CID 66088132) is 1-(2,5-dimethylphenyl)-2-(3-methylphenyl)sulfanylethanol.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-(3-methylphenyl)sulfanylethanol?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-(3-methylphenyl)sulfanylethanol is Cc1cccc(SCC(O)c2cc(C)ccc2C)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-(3-methylphenyl)sulfanylethanol?
The InChIKey is XSEMOALGPXQTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20OS/c1-12-5-4-6-15(9-12)19-11-17(18)16-10-13(2)7-8-14(16)3/h4-10,17-18H,11H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-(3-methylphenyl)sulfanylethanol?
1-(2,5-dimethylphenyl)-2-(3-methylphenyl)sulfanylethanol has a molecular weight of 272.41 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-(3-methylphenyl)sulfanylethanol is sourced from PubChem (CID 66088132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).