1-cyclohexyl-2-(2-methylsulfanylphenoxy)ethanone

C15H20O2S — CID 104752083

IUPAC1-cyclohexyl-2-(2-methylsulfanylphenoxy)ethanone
SMILESCSc1ccccc1OCC(=O)C1CCCCC1
InChIInChI=1S/C15H20O2S/c1-18-15-10-6-5-9-14(15)17-11-13(16)12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8,11H2,1H3
InChIKeyIPQKZIXCAXSLKJ-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.94
Rot. Bonds5

About 1-cyclohexyl-2-(2-methylsulfanylphenoxy)ethanone

1-cyclohexyl-2-(2-methylsulfanylphenoxy)ethanone (PubChem CID 104752083) has the molecular formula C15H20O2S and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2-methylsulfanylphenoxy)ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-(2-methylsulfanylphenoxy)ethanone
PubChem CID104752083
Molecular FormulaC15H20O2S
Molecular Weight264.39 g/mol
Exact Mass264.12
IUPAC Name1-cyclohexyl-2-(2-methylsulfanylphenoxy)ethanone
SMILESCSc1ccccc1OCC(=O)C1CCCCC1
InChIInChI=1S/C15H20O2S/c1-18-15-10-6-5-9-14(15)17-11-13(16)12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8,11H2,1H3
InChIKeyIPQKZIXCAXSLKJ-UHFFFAOYSA-N
XLogP3.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-2-(2-propan-2-ylphenoxy)ethanone
CID 104751801
2-(2-bromophenoxy)-1-cyclohexylethanone
CID 115578561
1-cyclohexyl-2-(2-fluoro-3-methylphenoxy)ethanone
CID 103988434
1-(2-methylsulfanylphenoxy)propan-2-one
CID 63649691
2-(2-cyclohexyl-2-oxoethoxy)benzonitrile
CID 113223270
1-cyclopentyl-2-[2-[(E)-prop-1-enyl]phenoxy]ethanone
CID 113449018
1-cyclohexyl-2-(2,3-dichlorophenoxy)ethanone
CID 115578570
N-[2-(2-methylsulfanylphenoxy)ethyl]cyclohexanamine
CID 63649255
1-cyclopropyl-2-(2-methoxyphenoxy)ethanone
CID 63914033
1-cyclopropyl-2-(2-fluorophenoxy)ethanone
CID 63913814
1-cyclopentyl-2-(2,5-difluorophenoxy)ethanone
CID 115733445
2-(2-chloro-4-fluorophenoxy)-1-cyclohexylethanone
CID 115578096

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(2-methylsulfanylphenoxy)ethanone?
The IUPAC name of 1-cyclohexyl-2-(2-methylsulfanylphenoxy)ethanone (CID 104752083) is 1-cyclohexyl-2-(2-methylsulfanylphenoxy)ethanone.
What is the SMILES notation for 1-cyclohexyl-2-(2-methylsulfanylphenoxy)ethanone?
The canonical SMILES for 1-cyclohexyl-2-(2-methylsulfanylphenoxy)ethanone is CSc1ccccc1OCC(=O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(2-methylsulfanylphenoxy)ethanone?
The InChIKey is IPQKZIXCAXSLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2S/c1-18-15-10-6-5-9-14(15)17-11-13(16)12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8,11H2,1H3.
What are the key properties of 1-cyclohexyl-2-(2-methylsulfanylphenoxy)ethanone?
1-cyclohexyl-2-(2-methylsulfanylphenoxy)ethanone has a molecular weight of 264.39 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2-methylsulfanylphenoxy)ethanone is sourced from PubChem (CID 104752083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).