1-[4-(2-cyclopropylphenyl)sulfinylphenyl]ethanol

C17H18O2S — CID 143136896

IUPAC1-[4-(2-cyclopropylphenyl)sulfinylphenyl]ethanol
SMILESCC(O)c1ccc(S(=O)c2ccccc2C2CC2)cc1
InChIInChI=1S/C17H18O2S/c1-12(18)13-8-10-15(11-9-13)20(19)17-5-3-2-4-16(17)14-6-7-14/h2-5,8-12,14,18H,6-7H2,1H3
InChIKeyZTKKZTPJEMTYNB-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.78
Rot. Bonds4

About 1-[4-(2-cyclopropylphenyl)sulfinylphenyl]ethanol

1-[4-(2-cyclopropylphenyl)sulfinylphenyl]ethanol (PubChem CID 143136896) has the molecular formula C17H18O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-[4-(2-cyclopropylphenyl)sulfinylphenyl]ethanol.

Molecular Properties

Compound Name1-[4-(2-cyclopropylphenyl)sulfinylphenyl]ethanol
PubChem CID143136896
Molecular FormulaC17H18O2S
Molecular Weight286.40 g/mol
Exact Mass286.10
IUPAC Name1-[4-(2-cyclopropylphenyl)sulfinylphenyl]ethanol
SMILESCC(O)c1ccc(S(=O)c2ccccc2C2CC2)cc1
InChIInChI=1S/C17H18O2S/c1-12(18)13-8-10-15(11-9-13)20(19)17-5-3-2-4-16(17)14-6-7-14/h2-5,8-12,14,18H,6-7H2,1H3
InChIKeyZTKKZTPJEMTYNB-UHFFFAOYSA-N
XLogP3.78
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-(2-cyclopropylphenyl)sulfinylphenyl]ethanol 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-cyclopropyl-2-[4-(1,1,1-trifluoropropan-2-yl)phenyl]sulfinylbenzene
CID 143136923
2-[4-(2-methylpropyl)cyclohexyl]benzenesulfinate
CID 174588475
(2-cyclopropylphenyl)-(4-propan-2-ylphenyl)methanol
CID 79983378
3-cyclopropyl-2-[[4-[(1S)-1-hydroxyethyl]phenyl]methyl]benzoic acid
CID 67429420
(1S)-1-phenylethanol
CID 157125626
tricyclo[6.2.2.02,7]dodeca-2,4,6-triene
CID 582301
azane;(1R)-1-phenylethanol
CID 126646564
1-(2-cyclobutylphenyl)-2-phenylpropan-1-ol
CID 114601326
(1R)-1-[2-(2-cyclobutylphenyl)phenyl]ethanol
CID 71129039
4-(2-methylsulfinylphenyl)piperidine;prop-1-ene
CID 142090527
carbanide;(1R)-1-phenylethanol;zinc
CID 177390370
1-[(1R)-1-bromoethyl]-2-(4-methylphenyl)sulfinylbenzene
CID 102282736

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-cyclopropylphenyl)sulfinylphenyl]ethanol?
The IUPAC name of 1-[4-(2-cyclopropylphenyl)sulfinylphenyl]ethanol (CID 143136896) is 1-[4-(2-cyclopropylphenyl)sulfinylphenyl]ethanol.
What is the SMILES notation for 1-[4-(2-cyclopropylphenyl)sulfinylphenyl]ethanol?
The canonical SMILES for 1-[4-(2-cyclopropylphenyl)sulfinylphenyl]ethanol is CC(O)c1ccc(S(=O)c2ccccc2C2CC2)cc1.
What is the InChIKey of 1-[4-(2-cyclopropylphenyl)sulfinylphenyl]ethanol?
The InChIKey is ZTKKZTPJEMTYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2S/c1-12(18)13-8-10-15(11-9-13)20(19)17-5-3-2-4-16(17)14-6-7-14/h2-5,8-12,14,18H,6-7H2,1H3.
What are the key properties of 1-[4-(2-cyclopropylphenyl)sulfinylphenyl]ethanol?
1-[4-(2-cyclopropylphenyl)sulfinylphenyl]ethanol has a molecular weight of 286.40 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-cyclopropylphenyl)sulfinylphenyl]ethanol is sourced from PubChem (CID 143136896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).