(2-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanol

C16H24OS — CID 115801687

IUPAC(2-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanol
SMILESCCC1CCCCC1C(O)c1ccc(SC)cc1
InChIInChI=1S/C16H24OS/c1-3-12-6-4-5-7-15(12)16(17)13-8-10-14(18-2)11-9-13/h8-12,15-17H,3-7H2,1-2H3
InChIKeyDVVZWVPUENDDEB-UHFFFAOYSA-N
MW264.43 g/mol
LogP4.66
Rot. Bonds4

About (2-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanol

(2-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanol (PubChem CID 115801687) has the molecular formula C16H24OS and a molecular weight of 264.43 g/mol. Its IUPAC name is (2-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanol.

Molecular Properties

Compound Name(2-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanol
PubChem CID115801687
Molecular FormulaC16H24OS
Molecular Weight264.43 g/mol
Exact Mass264.15
IUPAC Name(2-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanol
SMILESCCC1CCCCC1C(O)c1ccc(SC)cc1
InChIInChI=1S/C16H24OS/c1-3-12-6-4-5-7-15(12)16(17)13-8-10-14(18-2)11-9-13/h8-12,15-17H,3-7H2,1-2H3
InChIKeyDVVZWVPUENDDEB-UHFFFAOYSA-N
XLogP4.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.43
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dimethylphenyl)-(2-ethylcyclohexyl)methanol
CID 63895871
(2-ethylcyclohexyl)-pyrimidin-5-ylmethanol
CID 102924025
(3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanol
CID 115808482
[4-bromo-3-(trifluoromethyl)phenyl]-(2-ethylcyclohexyl)methanol
CID 115801665
(2-ethylcyclohexyl)-pyridin-3-ylmethanol
CID 63863632
(2-ethylcyclohexyl)-(4-methoxy-3-methylphenyl)methanol
CID 63893975
[2-[1-(4-methylsulfanylphenyl)ethylamino]cyclohexyl]methanol
CID 103717066
(2-ethylcyclohexyl)-(furan-2-yl)methanol
CID 63861285
(2-ethylcyclohexyl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol
CID 63893497
(4-methylsulfanylphenyl)-(oxan-4-yl)methanol
CID 115797647
1-(2-ethylcyclohexyl)-2-(4-fluorophenyl)sulfanyl-N-methylethanamine
CID 66072435
(2-aminophenyl)-(2-ethylcyclohexyl)methanol
CID 64831996

Frequently Asked Questions

What is the IUPAC name of (2-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanol?
The IUPAC name of (2-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanol (CID 115801687) is (2-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanol.
What is the SMILES notation for (2-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanol?
The canonical SMILES for (2-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanol is CCC1CCCCC1C(O)c1ccc(SC)cc1.
What is the InChIKey of (2-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanol?
The InChIKey is DVVZWVPUENDDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24OS/c1-3-12-6-4-5-7-15(12)16(17)13-8-10-14(18-2)11-9-13/h8-12,15-17H,3-7H2,1-2H3.
What are the key properties of (2-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanol?
(2-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanol has a molecular weight of 264.43 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanol is sourced from PubChem (CID 115801687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).