3-cyclohexyl-4-(2-cyclohexyl-4-hydroxyphenyl)sulfanylphenol

C24H30O2S — CID 54067427

IUPAC3-cyclohexyl-4-(2-cyclohexyl-4-hydroxyphenyl)sulfanylphenol
SMILESOc1ccc(Sc2ccc(O)cc2C2CCCCC2)c(C2CCCCC2)c1
InChIInChI=1S/C24H30O2S/c25-19-11-13-23(21(15-19)17-7-3-1-4-8-17)27-24-14-12-20(26)16-22(24)18-9-5-2-6-10-18/h11-18,25-26H,1-10H2
InChIKeyMDZKQBDTLKGSFL-UHFFFAOYSA-N
MW382.57 g/mol
LogP7.34
Rot. Bonds4

About 3-cyclohexyl-4-(2-cyclohexyl-4-hydroxyphenyl)sulfanylphenol

3-cyclohexyl-4-(2-cyclohexyl-4-hydroxyphenyl)sulfanylphenol (PubChem CID 54067427) has the molecular formula C24H30O2S and a molecular weight of 382.57 g/mol. Its IUPAC name is 3-cyclohexyl-4-(2-cyclohexyl-4-hydroxyphenyl)sulfanylphenol.

Molecular Properties

Compound Name3-cyclohexyl-4-(2-cyclohexyl-4-hydroxyphenyl)sulfanylphenol
PubChem CID54067427
Molecular FormulaC24H30O2S
Molecular Weight382.57 g/mol
Exact Mass382.20
IUPAC Name3-cyclohexyl-4-(2-cyclohexyl-4-hydroxyphenyl)sulfanylphenol
SMILESOc1ccc(Sc2ccc(O)cc2C2CCCCC2)c(C2CCCCC2)c1
InChIInChI=1S/C24H30O2S/c25-19-11-13-23(21(15-19)17-7-3-1-4-8-17)27-24-14-12-20(26)16-22(24)18-9-5-2-6-10-18/h11-18,25-26H,1-10H2
InChIKeyMDZKQBDTLKGSFL-UHFFFAOYSA-N
XLogP7.34
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.57
LogP ≤ 57.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-4-(2-cyclohexyl-4-hydroxyphenyl)sulfanylphenol;octadecan-1-ol
CID 67820971
4-cyclohexyl-3-(1-phenylethyl)phenol
CID 101304185
4-cyclohexyl-3-methylphenol;2-methylphenol
CID 157234017
4,6-dicyclohexylbenzene-1,3-diol
CID 3020817
6-cyclohexylnaphthalen-2-ol
CID 22497902
2-cyclododecylphenol
CID 22381643
3-cyclohexylphenol
CID 16036
2-cyclohexyl-5-(4-cyclopentyl-3-hydroxyphenyl)phenol
CID 142370768
4-cyclopentyl-3-(3,5-dimethylphenyl)phenol
CID 67187515
2,6-dicyclohexyl-4-hydroxybenzenesulfonate
CID 58341632
2,5-di(cyclononyl)phenol
CID 57426125
3,4-dicyclopentylthiophene
CID 21200052

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-4-(2-cyclohexyl-4-hydroxyphenyl)sulfanylphenol?
The IUPAC name of 3-cyclohexyl-4-(2-cyclohexyl-4-hydroxyphenyl)sulfanylphenol (CID 54067427) is 3-cyclohexyl-4-(2-cyclohexyl-4-hydroxyphenyl)sulfanylphenol.
What is the SMILES notation for 3-cyclohexyl-4-(2-cyclohexyl-4-hydroxyphenyl)sulfanylphenol?
The canonical SMILES for 3-cyclohexyl-4-(2-cyclohexyl-4-hydroxyphenyl)sulfanylphenol is Oc1ccc(Sc2ccc(O)cc2C2CCCCC2)c(C2CCCCC2)c1.
What is the InChIKey of 3-cyclohexyl-4-(2-cyclohexyl-4-hydroxyphenyl)sulfanylphenol?
The InChIKey is MDZKQBDTLKGSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O2S/c25-19-11-13-23(21(15-19)17-7-3-1-4-8-17)27-24-14-12-20(26)16-22(24)18-9-5-2-6-10-18/h11-18,25-26H,1-10H2.
What are the key properties of 3-cyclohexyl-4-(2-cyclohexyl-4-hydroxyphenyl)sulfanylphenol?
3-cyclohexyl-4-(2-cyclohexyl-4-hydroxyphenyl)sulfanylphenol has a molecular weight of 382.57 g/mol, XLogP of 7.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-4-(2-cyclohexyl-4-hydroxyphenyl)sulfanylphenol is sourced from PubChem (CID 54067427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).