(3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanol

C16H24OS — CID 115808482

IUPAC(3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanol
SMILESCCC1CCCC(C(O)c2ccc(SC)cc2)C1
InChIInChI=1S/C16H24OS/c1-3-12-5-4-6-14(11-12)16(17)13-7-9-15(18-2)10-8-13/h7-10,12,14,16-17H,3-6,11H2,1-2H3
InChIKeyNHVGWDUKYXATNR-UHFFFAOYSA-N
MW264.43 g/mol
LogP4.66
Rot. Bonds4

About (3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanol

(3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanol (PubChem CID 115808482) has the molecular formula C16H24OS and a molecular weight of 264.43 g/mol. Its IUPAC name is (3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanol.

Molecular Properties

Compound Name(3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanol
PubChem CID115808482
Molecular FormulaC16H24OS
Molecular Weight264.43 g/mol
Exact Mass264.15
IUPAC Name(3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanol
SMILESCCC1CCCC(C(O)c2ccc(SC)cc2)C1
InChIInChI=1S/C16H24OS/c1-3-12-5-4-6-14(11-12)16(17)13-7-9-15(18-2)10-8-13/h7-10,12,14,16-17H,3-6,11H2,1-2H3
InChIKeyNHVGWDUKYXATNR-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-ethylcyclohexyl)-(2,4,6-trifluorophenyl)methanol
CID 115808567
[4-bromo-3-(trifluoromethyl)phenyl]-(3-ethylcyclohexyl)methanol
CID 115808455
(2-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanol
CID 115801687
(3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanone
CID 114976485
(3-chloro-4-methoxyphenyl)-(3-ethylcyclohexyl)methanol
CID 65026921
(3-ethylcyclohexyl)-(2,3,4,5,6-pentafluorophenyl)methanol
CID 115808432
(3-ethylcyclopentyl)-(4-methoxyphenyl)methanol
CID 65409565
(4-methylsulfanylphenyl)-(oxan-3-yl)methanol
CID 107136272
(5-bromothiophen-3-yl)-(3-ethylcyclohexyl)methanol
CID 105104394
(2,6-difluorophenyl)-(3-ethylcyclohexyl)methanamine
CID 65412911
(4-methylsulfanylphenyl)-(oxan-4-yl)methanol
CID 115797647
(3-ethylcyclopentyl)-(3-fluoro-4-methylphenyl)methanol
CID 107128518

Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanol?
The IUPAC name of (3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanol (CID 115808482) is (3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanol.
What is the SMILES notation for (3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanol?
The canonical SMILES for (3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanol is CCC1CCCC(C(O)c2ccc(SC)cc2)C1.
What is the InChIKey of (3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanol?
The InChIKey is NHVGWDUKYXATNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24OS/c1-3-12-5-4-6-14(11-12)16(17)13-7-9-15(18-2)10-8-13/h7-10,12,14,16-17H,3-6,11H2,1-2H3.
What are the key properties of (3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanol?
(3-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 (3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanol is sourced from PubChem (CID 115808482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).