(3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanone

C16H22OS — CID 114976485

IUPAC(3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanone
SMILESCCC1CCCC(C(=O)c2ccc(SC)cc2)C1
InChIInChI=1S/C16H22OS/c1-3-12-5-4-6-14(11-12)16(17)13-7-9-15(18-2)10-8-13/h7-10,12,14H,3-6,11H2,1-2H3
InChIKeyAPSBHVXPDSSICG-UHFFFAOYSA-N
MW262.42 g/mol
LogP4.81
Rot. Bonds4

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

(3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanone (PubChem CID 114976485) has the molecular formula C16H22OS and a molecular weight of 262.42 g/mol. Its IUPAC name is (3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name(3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanone
PubChem CID114976485
Molecular FormulaC16H22OS
Molecular Weight262.42 g/mol
Exact Mass262.14
IUPAC Name(3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanone
SMILESCCC1CCCC(C(=O)c2ccc(SC)cc2)C1
InChIInChI=1S/C16H22OS/c1-3-12-5-4-6-14(11-12)16(17)13-7-9-15(18-2)10-8-13/h7-10,12,14H,3-6,11H2,1-2H3
InChIKeyAPSBHVXPDSSICG-UHFFFAOYSA-N
XLogP4.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-ethylcyclohexyl)-(4-propylphenyl)methanone
CID 65402525
(3-ethylcyclohexyl)-(4-propoxyphenyl)methanone
CID 65402526
(3-ethylcyclohexyl)-pyridazin-4-ylmethanone
CID 105106676
(3-ethylcyclohexyl)-(2-ethylphenyl)methanone
CID 114976419
(3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanol
CID 115808482
(3-ethylcyclohexyl)-(4-fluoro-2-methylphenyl)methanone
CID 65401304
[4-(methylamino)cyclohexyl]-(4-methylsulfanylphenyl)methanone
CID 116917614
2,3-dihydro-1H-indol-5-yl-(3-ethylcyclohexyl)methanone
CID 116554085
(4-ethoxyphenyl)-(3-ethylcyclopentyl)methanone
CID 65407752
(3-ethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methanone
CID 116543287
(3-ethylcyclohexyl)-(3-methylthiophen-2-yl)methanone
CID 79990878
(3-ethylcyclohexyl)-(1H-1,2,4-triazol-5-yl)methanone
CID 65363445

Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanone?
The IUPAC name of (3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanone (CID 114976485) is (3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanone.
What is the SMILES notation for (3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanone?
The canonical SMILES for (3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanone is CCC1CCCC(C(=O)c2ccc(SC)cc2)C1.
What is the InChIKey of (3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanone?
The InChIKey is APSBHVXPDSSICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22OS/c1-3-12-5-4-6-14(11-12)16(17)13-7-9-15(18-2)10-8-13/h7-10,12,14H,3-6,11H2,1-2H3.
What are the key properties of (3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanone?
(3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanone has a molecular weight of 262.42 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanone is sourced from PubChem (CID 114976485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).