2-cyclohexylsulfanyl-4-methyl-6-(1-phenylethyl)phenol

C21H26OS — CID 15139972

IUPAC2-cyclohexylsulfanyl-4-methyl-6-(1-phenylethyl)phenol
SMILESCc1cc(SC2CCCCC2)c(O)c(C(C)c2ccccc2)c1
InChIInChI=1S/C21H26OS/c1-15-13-19(16(2)17-9-5-3-6-10-17)21(22)20(14-15)23-18-11-7-4-8-12-18/h3,5-6,9-10,13-14,16,18,22H,4,7-8,11-12H2,1-2H3
InChIKeyGJQDEBCKKGITMZ-UHFFFAOYSA-N
MW326.51 g/mol
LogP6.28
Rot. Bonds4

About 2-cyclohexylsulfanyl-4-methyl-6-(1-phenylethyl)phenol

2-cyclohexylsulfanyl-4-methyl-6-(1-phenylethyl)phenol (PubChem CID 15139972) has the molecular formula C21H26OS and a molecular weight of 326.51 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-4-methyl-6-(1-phenylethyl)phenol.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-4-methyl-6-(1-phenylethyl)phenol
PubChem CID15139972
Molecular FormulaC21H26OS
Molecular Weight326.51 g/mol
Exact Mass326.17
IUPAC Name2-cyclohexylsulfanyl-4-methyl-6-(1-phenylethyl)phenol
SMILESCc1cc(SC2CCCCC2)c(O)c(C(C)c2ccccc2)c1
InChIInChI=1S/C21H26OS/c1-15-13-19(16(2)17-9-5-3-6-10-17)21(22)20(14-15)23-18-11-7-4-8-12-18/h3,5-6,9-10,13-14,16,18,22H,4,7-8,11-12H2,1-2H3
InChIKeyGJQDEBCKKGITMZ-UHFFFAOYSA-N
XLogP6.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.51
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyclohexylsulfanyl-4-methyl-6-(1-phenylethyl)phenol 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 2-cyclohexylsulfanyl-4-methyl-6-(1-phenylethyl)phenol?
The IUPAC name of 2-cyclohexylsulfanyl-4-methyl-6-(1-phenylethyl)phenol (CID 15139972) is 2-cyclohexylsulfanyl-4-methyl-6-(1-phenylethyl)phenol.
What is the SMILES notation for 2-cyclohexylsulfanyl-4-methyl-6-(1-phenylethyl)phenol?
The canonical SMILES for 2-cyclohexylsulfanyl-4-methyl-6-(1-phenylethyl)phenol is Cc1cc(SC2CCCCC2)c(O)c(C(C)c2ccccc2)c1.
What is the InChIKey of 2-cyclohexylsulfanyl-4-methyl-6-(1-phenylethyl)phenol?
The InChIKey is GJQDEBCKKGITMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26OS/c1-15-13-19(16(2)17-9-5-3-6-10-17)21(22)20(14-15)23-18-11-7-4-8-12-18/h3,5-6,9-10,13-14,16,18,22H,4,7-8,11-12H2,1-2H3.
What are the key properties of 2-cyclohexylsulfanyl-4-methyl-6-(1-phenylethyl)phenol?
2-cyclohexylsulfanyl-4-methyl-6-(1-phenylethyl)phenol has a molecular weight of 326.51 g/mol, XLogP of 6.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-4-methyl-6-(1-phenylethyl)phenol is sourced from PubChem (CID 15139972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).