1-(4-cyclohexylsulfanylphenyl)ethanone

C14H18OS — CID 60885973

IUPAC1-(4-cyclohexylsulfanylphenyl)ethanone
SMILESCC(=O)c1ccc(SC2CCCCC2)cc1
InChIInChI=1S/C14H18OS/c1-11(15)12-7-9-14(10-8-12)16-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3
InChIKeyMMXAXZWMQYIZCQ-UHFFFAOYSA-N
MW234.36 g/mol
LogP4.31
Rot. Bonds3

About 1-(4-cyclohexylsulfanylphenyl)ethanone

1-(4-cyclohexylsulfanylphenyl)ethanone (PubChem CID 60885973) has the molecular formula C14H18OS and a molecular weight of 234.36 g/mol. Its IUPAC name is 1-(4-cyclohexylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-cyclohexylsulfanylphenyl)ethanone
PubChem CID60885973
Molecular FormulaC14H18OS
Molecular Weight234.36 g/mol
Exact Mass234.11
IUPAC Name1-(4-cyclohexylsulfanylphenyl)ethanone
SMILESCC(=O)c1ccc(SC2CCCCC2)cc1
InChIInChI=1S/C14H18OS/c1-11(15)12-7-9-14(10-8-12)16-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3
InChIKeyMMXAXZWMQYIZCQ-UHFFFAOYSA-N
XLogP4.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-cyclopentylsulfanylphenyl)propan-1-one
CID 82496466
2-bromo-1-(4-cyclopentylsulfanylphenyl)ethanone
CID 82490225
1-(3-chloro-4-cyclohexylsulfanylphenyl)ethanone
CID 55223975
3-amino-1-(4-cyclopentylsulfanylphenyl)propan-1-one
CID 96676025
2-[1-(4-cyclopentylsulfanylphenyl)ethylideneamino]guanidine
CID 172795345
1-(3-chloro-4-cyclopentylsulfanylphenyl)ethanone
CID 63114858
1-tert-butyl-4-cyclohexylsulfanylbenzene
CID 22367519
bis[4-(4-acetylphenyl)sulfanylphenyl]-(4-phenylsulfanylcyclohexyl)sulfanium
CID 153435583
1-bromo-4-cyclohexylsulfanylbenzene
CID 15728332
1-cyclohexylsulfanyl-4-methoxybenzene
CID 13011159
(4-cyclohexylsulfanylphenyl)boronic acid
CID 23005413
1-[4-(4-acetylphenyl)sulfanylphenyl]ethanone
CID 520243

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylsulfanylphenyl)ethanone?
The IUPAC name of 1-(4-cyclohexylsulfanylphenyl)ethanone (CID 60885973) is 1-(4-cyclohexylsulfanylphenyl)ethanone.
What is the SMILES notation for 1-(4-cyclohexylsulfanylphenyl)ethanone?
The canonical SMILES for 1-(4-cyclohexylsulfanylphenyl)ethanone is CC(=O)c1ccc(SC2CCCCC2)cc1.
What is the InChIKey of 1-(4-cyclohexylsulfanylphenyl)ethanone?
The InChIKey is MMXAXZWMQYIZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18OS/c1-11(15)12-7-9-14(10-8-12)16-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3.
What are the key properties of 1-(4-cyclohexylsulfanylphenyl)ethanone?
1-(4-cyclohexylsulfanylphenyl)ethanone has a molecular weight of 234.36 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylsulfanylphenyl)ethanone is sourced from PubChem (CID 60885973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).