1-ethyl-4-(4-phenylsulfanylcyclohexyl)benzene

C20H24S — CID 19992933

IUPAC1-ethyl-4-(4-phenylsulfanylcyclohexyl)benzene
SMILESCCc1ccc(C2CCC(Sc3ccccc3)CC2)cc1
InChIInChI=1S/C20H24S/c1-2-16-8-10-17(11-9-16)18-12-14-20(15-13-18)21-19-6-4-3-5-7-19/h3-11,18,20H,2,12-15H2,1H3
InChIKeyNJZZGFQJSIZSIV-UHFFFAOYSA-N
MW296.48 g/mol
LogP6.07
Rot. Bonds4

About 1-ethyl-4-(4-phenylsulfanylcyclohexyl)benzene

1-ethyl-4-(4-phenylsulfanylcyclohexyl)benzene (PubChem CID 19992933) has the molecular formula C20H24S and a molecular weight of 296.48 g/mol. Its IUPAC name is 1-ethyl-4-(4-phenylsulfanylcyclohexyl)benzene.

Molecular Properties

Compound Name1-ethyl-4-(4-phenylsulfanylcyclohexyl)benzene
PubChem CID19992933
Molecular FormulaC20H24S
Molecular Weight296.48 g/mol
Exact Mass296.16
IUPAC Name1-ethyl-4-(4-phenylsulfanylcyclohexyl)benzene
SMILESCCc1ccc(C2CCC(Sc3ccccc3)CC2)cc1
InChIInChI=1S/C20H24S/c1-2-16-8-10-17(11-9-16)18-12-14-20(15-13-18)21-19-6-4-3-5-7-19/h3-11,18,20H,2,12-15H2,1H3
InChIKeyNJZZGFQJSIZSIV-UHFFFAOYSA-N
XLogP6.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.48
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-ethyl-4-(4-phenylsulfanylcyclohexyl)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 1-ethyl-4-(4-phenylsulfanylcyclohexyl)benzene?
The IUPAC name of 1-ethyl-4-(4-phenylsulfanylcyclohexyl)benzene (CID 19992933) is 1-ethyl-4-(4-phenylsulfanylcyclohexyl)benzene.
What is the SMILES notation for 1-ethyl-4-(4-phenylsulfanylcyclohexyl)benzene?
The canonical SMILES for 1-ethyl-4-(4-phenylsulfanylcyclohexyl)benzene is CCc1ccc(C2CCC(Sc3ccccc3)CC2)cc1.
What is the InChIKey of 1-ethyl-4-(4-phenylsulfanylcyclohexyl)benzene?
The InChIKey is NJZZGFQJSIZSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24S/c1-2-16-8-10-17(11-9-16)18-12-14-20(15-13-18)21-19-6-4-3-5-7-19/h3-11,18,20H,2,12-15H2,1H3.
What are the key properties of 1-ethyl-4-(4-phenylsulfanylcyclohexyl)benzene?
1-ethyl-4-(4-phenylsulfanylcyclohexyl)benzene has a molecular weight of 296.48 g/mol, XLogP of 6.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(4-phenylsulfanylcyclohexyl)benzene is sourced from PubChem (CID 19992933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).