1-[4-(4-ethylphenyl)sulfanylcyclohexyl]propan-2-one

C17H24OS — CID 143331044

IUPAC1-[4-(4-ethylphenyl)sulfanylcyclohexyl]propan-2-one
SMILESCCc1ccc(SC2CCC(CC(C)=O)CC2)cc1
InChIInChI=1S/C17H24OS/c1-3-14-4-8-16(9-5-14)19-17-10-6-15(7-11-17)12-13(2)18/h4-5,8-9,15,17H,3,6-7,10-12H2,1-2H3
InChIKeyWAVPXUVBCVNCDV-UHFFFAOYSA-N
MW276.45 g/mol
LogP4.88
Rot. Bonds5

About 1-[4-(4-ethylphenyl)sulfanylcyclohexyl]propan-2-one

1-[4-(4-ethylphenyl)sulfanylcyclohexyl]propan-2-one (PubChem CID 143331044) has the molecular formula C17H24OS and a molecular weight of 276.45 g/mol. Its IUPAC name is 1-[4-(4-ethylphenyl)sulfanylcyclohexyl]propan-2-one.

Molecular Properties

Compound Name1-[4-(4-ethylphenyl)sulfanylcyclohexyl]propan-2-one
PubChem CID143331044
Molecular FormulaC17H24OS
Molecular Weight276.45 g/mol
Exact Mass276.15
IUPAC Name1-[4-(4-ethylphenyl)sulfanylcyclohexyl]propan-2-one
SMILESCCc1ccc(SC2CCC(CC(C)=O)CC2)cc1
InChIInChI=1S/C17H24OS/c1-3-14-4-8-16(9-5-14)19-17-10-6-15(7-11-17)12-13(2)18/h4-5,8-9,15,17H,3,6-7,10-12H2,1-2H3
InChIKeyWAVPXUVBCVNCDV-UHFFFAOYSA-N
XLogP4.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-(4-ethylphenyl)sulfanylcyclohexyl]propan-2-one 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-[4-(4-ethylphenyl)sulfanylcyclohexyl]propan-2-one?
The IUPAC name of 1-[4-(4-ethylphenyl)sulfanylcyclohexyl]propan-2-one (CID 143331044) is 1-[4-(4-ethylphenyl)sulfanylcyclohexyl]propan-2-one.
What is the SMILES notation for 1-[4-(4-ethylphenyl)sulfanylcyclohexyl]propan-2-one?
The canonical SMILES for 1-[4-(4-ethylphenyl)sulfanylcyclohexyl]propan-2-one is CCc1ccc(SC2CCC(CC(C)=O)CC2)cc1.
What is the InChIKey of 1-[4-(4-ethylphenyl)sulfanylcyclohexyl]propan-2-one?
The InChIKey is WAVPXUVBCVNCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24OS/c1-3-14-4-8-16(9-5-14)19-17-10-6-15(7-11-17)12-13(2)18/h4-5,8-9,15,17H,3,6-7,10-12H2,1-2H3.
What are the key properties of 1-[4-(4-ethylphenyl)sulfanylcyclohexyl]propan-2-one?
1-[4-(4-ethylphenyl)sulfanylcyclohexyl]propan-2-one has a molecular weight of 276.45 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethylphenyl)sulfanylcyclohexyl]propan-2-one is sourced from PubChem (CID 143331044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).