[cyclopentylsulfanyl(phenyl)methyl]benzene

C18H20S — CID 66910804

IUPAC[cyclopentylsulfanyl(phenyl)methyl]benzene
SMILESc1ccc(C(SC2CCCC2)c2ccccc2)cc1
InChIInChI=1S/C18H20S/c1-3-9-15(10-4-1)18(16-11-5-2-6-12-16)19-17-13-7-8-14-17/h1-6,9-12,17-18H,7-8,13-14H2
InChIKeyIOWPBSBGPFBIAA-UHFFFAOYSA-N
MW268.43 g/mol
LogP5.45
Rot. Bonds4

About [cyclopentylsulfanyl(phenyl)methyl]benzene

[cyclopentylsulfanyl(phenyl)methyl]benzene (PubChem CID 66910804) has the molecular formula C18H20S and a molecular weight of 268.43 g/mol. Its IUPAC name is [cyclopentylsulfanyl(phenyl)methyl]benzene.

Molecular Properties

Compound Name[cyclopentylsulfanyl(phenyl)methyl]benzene
PubChem CID66910804
Molecular FormulaC18H20S
Molecular Weight268.43 g/mol
Exact Mass268.13
IUPAC Name[cyclopentylsulfanyl(phenyl)methyl]benzene
SMILESc1ccc(C(SC2CCCC2)c2ccccc2)cc1
InChIInChI=1S/C18H20S/c1-3-9-15(10-4-1)18(16-11-5-2-6-12-16)19-17-13-7-8-14-17/h1-6,9-12,17-18H,7-8,13-14H2
InChIKeyIOWPBSBGPFBIAA-UHFFFAOYSA-N
XLogP5.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.43
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze [cyclopentylsulfanyl(phenyl)methyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [cyclopentylsulfanyl(phenyl)methyl]benzene?
The IUPAC name of [cyclopentylsulfanyl(phenyl)methyl]benzene (CID 66910804) is [cyclopentylsulfanyl(phenyl)methyl]benzene.
What is the SMILES notation for [cyclopentylsulfanyl(phenyl)methyl]benzene?
The canonical SMILES for [cyclopentylsulfanyl(phenyl)methyl]benzene is c1ccc(C(SC2CCCC2)c2ccccc2)cc1.
What is the InChIKey of [cyclopentylsulfanyl(phenyl)methyl]benzene?
The InChIKey is IOWPBSBGPFBIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20S/c1-3-9-15(10-4-1)18(16-11-5-2-6-12-16)19-17-13-7-8-14-17/h1-6,9-12,17-18H,7-8,13-14H2.
What are the key properties of [cyclopentylsulfanyl(phenyl)methyl]benzene?
[cyclopentylsulfanyl(phenyl)methyl]benzene has a molecular weight of 268.43 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclopentylsulfanyl(phenyl)methyl]benzene is sourced from PubChem (CID 66910804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).