1-(4-ethylphenyl)-3-phenylsulfanylpropan-2-ol

C17H20OS — CID 65141825

IUPAC1-(4-ethylphenyl)-3-phenylsulfanylpropan-2-ol
SMILESCCc1ccc(CC(O)CSc2ccccc2)cc1
InChIInChI=1S/C17H20OS/c1-2-14-8-10-15(11-9-14)12-16(18)13-19-17-6-4-3-5-7-17/h3-11,16,18H,2,12-13H2,1H3
InChIKeyYHFZIWOLEUVOQI-UHFFFAOYSA-N
MW272.41 g/mol
LogP3.94
Rot. Bonds6

About 1-(4-ethylphenyl)-3-phenylsulfanylpropan-2-ol

1-(4-ethylphenyl)-3-phenylsulfanylpropan-2-ol (PubChem CID 65141825) has the molecular formula C17H20OS and a molecular weight of 272.41 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-phenylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-phenylsulfanylpropan-2-ol
PubChem CID65141825
Molecular FormulaC17H20OS
Molecular Weight272.41 g/mol
Exact Mass272.12
IUPAC Name1-(4-ethylphenyl)-3-phenylsulfanylpropan-2-ol
SMILESCCc1ccc(CC(O)CSc2ccccc2)cc1
InChIInChI=1S/C17H20OS/c1-2-14-8-10-15(11-9-14)12-16(18)13-19-17-6-4-3-5-7-17/h3-11,16,18H,2,12-13H2,1H3
InChIKeyYHFZIWOLEUVOQI-UHFFFAOYSA-N
XLogP3.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-ethylphenyl)-3-phenylsulfanylpropan-2-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-(4-ethylphenyl)-2-phenylsulfanylethanol
CID 4786904
1-(4-methylphenyl)sulfanyl-3-phenylpropan-2-ol
CID 60722243
1-(3,4-dimethylphenyl)-3-phenylsulfanylpropan-2-ol
CID 65142248
1-(4-ethylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 66051511
1-(1-ethylpyrazol-4-yl)-3-phenylsulfanylpropan-2-ol
CID 65141783
1-(4-ethylsulfanylphenyl)butan-2-ol
CID 91658585
1-(2-methoxyphenyl)-3-phenylsulfanylpropan-2-ol
CID 65142108
1-(4-chlorophenyl)sulfanyl-3-(4-methylphenyl)propan-2-ol
CID 66145326
[1-(4-ethylphenyl)-2-phenylsulfanylethyl]hydrazine
CID 105228219
1-phenylsulfanylundecan-2-ol
CID 65142065
1-(3-bromophenyl)sulfanyl-3-(4-propan-2-ylphenyl)propan-2-ol
CID 66143354
3-(4-ethylphenyl)-2-phenylsulfanylpropanoic acid
CID 133245239

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-phenylsulfanylpropan-2-ol?
The IUPAC name of 1-(4-ethylphenyl)-3-phenylsulfanylpropan-2-ol (CID 65141825) is 1-(4-ethylphenyl)-3-phenylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(4-ethylphenyl)-3-phenylsulfanylpropan-2-ol?
The canonical SMILES for 1-(4-ethylphenyl)-3-phenylsulfanylpropan-2-ol is CCc1ccc(CC(O)CSc2ccccc2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-phenylsulfanylpropan-2-ol?
The InChIKey is YHFZIWOLEUVOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20OS/c1-2-14-8-10-15(11-9-14)12-16(18)13-19-17-6-4-3-5-7-17/h3-11,16,18H,2,12-13H2,1H3.
What are the key properties of 1-(4-ethylphenyl)-3-phenylsulfanylpropan-2-ol?
1-(4-ethylphenyl)-3-phenylsulfanylpropan-2-ol has a molecular weight of 272.41 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-phenylsulfanylpropan-2-ol is sourced from PubChem (CID 65141825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).