2-(3-methylphenyl)sulfanyl-1-(2-phenylcyclopropyl)ethanol

C18H20OS — CID 116517234

IUPAC2-(3-methylphenyl)sulfanyl-1-(2-phenylcyclopropyl)ethanol
SMILESCc1cccc(SCC(O)C2CC2c2ccccc2)c1
InChIInChI=1S/C18H20OS/c1-13-6-5-9-15(10-13)20-12-18(19)17-11-16(17)14-7-3-2-4-8-14/h2-10,16-19H,11-12H2,1H3
InChIKeyFPWBMPUUMBZEJN-UHFFFAOYSA-N
MW284.42 g/mol
LogP4.25
Rot. Bonds5

About 2-(3-methylphenyl)sulfanyl-1-(2-phenylcyclopropyl)ethanol

2-(3-methylphenyl)sulfanyl-1-(2-phenylcyclopropyl)ethanol (PubChem CID 116517234) has the molecular formula C18H20OS and a molecular weight of 284.42 g/mol. Its IUPAC name is 2-(3-methylphenyl)sulfanyl-1-(2-phenylcyclopropyl)ethanol.

Molecular Properties

Compound Name2-(3-methylphenyl)sulfanyl-1-(2-phenylcyclopropyl)ethanol
PubChem CID116517234
Molecular FormulaC18H20OS
Molecular Weight284.42 g/mol
Exact Mass284.12
IUPAC Name2-(3-methylphenyl)sulfanyl-1-(2-phenylcyclopropyl)ethanol
SMILESCc1cccc(SCC(O)C2CC2c2ccccc2)c1
InChIInChI=1S/C18H20OS/c1-13-6-5-9-15(10-13)20-12-18(19)17-11-16(17)14-7-3-2-4-8-14/h2-10,16-19H,11-12H2,1H3
InChIKeyFPWBMPUUMBZEJN-UHFFFAOYSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-methylphenyl)sulfanyl-1-(2-phenylcyclopropyl)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

2-(3-fluorophenyl)sulfanyl-1-(2-phenylcyclopropyl)ethanol
CID 116517231
1-cyclopropyl-2-(3-methylphenyl)sulfanylethanol
CID 66087943
1-cyclopentyl-2-(3-methylphenyl)sulfanylethanol
CID 66088334
1-(3-methylphenyl)sulfanylpropan-2-ol
CID 61244165
(1S)-1-[(1S,2S)-2-phenylcyclopropyl]ethane-1,2-diol
CID 11769104
3-(3-methylphenyl)-2-(2-phenylcyclopropyl)propan-1-ol
CID 116518448
[(3-methylphenyl)-(2-phenylcyclopropyl)methyl]hydrazine
CID 105200887
1-(2,2-difluoroethylsulfanyl)-3-methylbenzene
CID 130741881
2-(3-methylphenyl)sulfanyl-1-thiophen-3-ylethanol
CID 66086004
1-methyl-3-(2-phenylsulfanylethylsulfanyl)benzene
CID 79327094
4,6-dimethyl-1-(3-methylphenyl)sulfanylheptan-2-ol
CID 114200730
1-(2-phenylcyclopropyl)-2-(propan-2-ylamino)ethanol
CID 116518402

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)sulfanyl-1-(2-phenylcyclopropyl)ethanol?
The IUPAC name of 2-(3-methylphenyl)sulfanyl-1-(2-phenylcyclopropyl)ethanol (CID 116517234) is 2-(3-methylphenyl)sulfanyl-1-(2-phenylcyclopropyl)ethanol.
What is the SMILES notation for 2-(3-methylphenyl)sulfanyl-1-(2-phenylcyclopropyl)ethanol?
The canonical SMILES for 2-(3-methylphenyl)sulfanyl-1-(2-phenylcyclopropyl)ethanol is Cc1cccc(SCC(O)C2CC2c2ccccc2)c1.
What is the InChIKey of 2-(3-methylphenyl)sulfanyl-1-(2-phenylcyclopropyl)ethanol?
The InChIKey is FPWBMPUUMBZEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20OS/c1-13-6-5-9-15(10-13)20-12-18(19)17-11-16(17)14-7-3-2-4-8-14/h2-10,16-19H,11-12H2,1H3.
What are the key properties of 2-(3-methylphenyl)sulfanyl-1-(2-phenylcyclopropyl)ethanol?
2-(3-methylphenyl)sulfanyl-1-(2-phenylcyclopropyl)ethanol has a molecular weight of 284.42 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)sulfanyl-1-(2-phenylcyclopropyl)ethanol is sourced from PubChem (CID 116517234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).