4-(4-ethylcyclohexyl)sulfanylphenol

C14H20OS — CID 64775882

IUPAC4-(4-ethylcyclohexyl)sulfanylphenol
SMILESCCC1CCC(Sc2ccc(O)cc2)CC1
InChIInChI=1S/C14H20OS/c1-2-11-3-7-13(8-4-11)16-14-9-5-12(15)6-10-14/h5-6,9-11,13,15H,2-4,7-8H2,1H3
InChIKeyVPVUWBRQMMAONZ-UHFFFAOYSA-N
MW236.38 g/mol
LogP4.45
Rot. Bonds3

About 4-(4-ethylcyclohexyl)sulfanylphenol

4-(4-ethylcyclohexyl)sulfanylphenol (PubChem CID 64775882) has the molecular formula C14H20OS and a molecular weight of 236.38 g/mol. Its IUPAC name is 4-(4-ethylcyclohexyl)sulfanylphenol.

Molecular Properties

Compound Name4-(4-ethylcyclohexyl)sulfanylphenol
PubChem CID64775882
Molecular FormulaC14H20OS
Molecular Weight236.38 g/mol
Exact Mass236.12
IUPAC Name4-(4-ethylcyclohexyl)sulfanylphenol
SMILESCCC1CCC(Sc2ccc(O)cc2)CC1
InChIInChI=1S/C14H20OS/c1-2-11-3-7-13(8-4-11)16-14-9-5-12(15)6-10-14/h5-6,9-11,13,15H,2-4,7-8H2,1H3
InChIKeyVPVUWBRQMMAONZ-UHFFFAOYSA-N
XLogP4.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylcyclohexyl)sulfanylphenol?
The IUPAC name of 4-(4-ethylcyclohexyl)sulfanylphenol (CID 64775882) is 4-(4-ethylcyclohexyl)sulfanylphenol.
What is the SMILES notation for 4-(4-ethylcyclohexyl)sulfanylphenol?
The canonical SMILES for 4-(4-ethylcyclohexyl)sulfanylphenol is CCC1CCC(Sc2ccc(O)cc2)CC1.
What is the InChIKey of 4-(4-ethylcyclohexyl)sulfanylphenol?
The InChIKey is VPVUWBRQMMAONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20OS/c1-2-11-3-7-13(8-4-11)16-14-9-5-12(15)6-10-14/h5-6,9-11,13,15H,2-4,7-8H2,1H3.
What are the key properties of 4-(4-ethylcyclohexyl)sulfanylphenol?
4-(4-ethylcyclohexyl)sulfanylphenol has a molecular weight of 236.38 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylcyclohexyl)sulfanylphenol is sourced from PubChem (CID 64775882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).