1-[2-(4-cyclohexylbutyl)phenyl]ethanone

C18H26O — CID 102374896

IUPAC1-[2-(4-cyclohexylbutyl)phenyl]ethanone
SMILESCC(=O)c1ccccc1CCCCC1CCCCC1
InChIInChI=1S/C18H26O/c1-15(19)18-14-8-7-13-17(18)12-6-5-11-16-9-3-2-4-10-16/h7-8,13-14,16H,2-6,9-12H2,1H3
InChIKeyCHMNKJZKQSDKHP-UHFFFAOYSA-N
MW258.40 g/mol
LogP5.18
Rot. Bonds6

About 1-[2-(4-cyclohexylbutyl)phenyl]ethanone

1-[2-(4-cyclohexylbutyl)phenyl]ethanone (PubChem CID 102374896) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 1-[2-(4-cyclohexylbutyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(4-cyclohexylbutyl)phenyl]ethanone
PubChem CID102374896
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name1-[2-(4-cyclohexylbutyl)phenyl]ethanone
SMILESCC(=O)c1ccccc1CCCCC1CCCCC1
InChIInChI=1S/C18H26O/c1-15(19)18-14-8-7-13-17(18)12-6-5-11-16-9-3-2-4-10-16/h7-8,13-14,16H,2-6,9-12H2,1H3
InChIKeyCHMNKJZKQSDKHP-UHFFFAOYSA-N
XLogP5.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.40
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-cyclohexylbutyl)phenyl]ethanone?
The IUPAC name of 1-[2-(4-cyclohexylbutyl)phenyl]ethanone (CID 102374896) is 1-[2-(4-cyclohexylbutyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-(4-cyclohexylbutyl)phenyl]ethanone?
The canonical SMILES for 1-[2-(4-cyclohexylbutyl)phenyl]ethanone is CC(=O)c1ccccc1CCCCC1CCCCC1.
What is the InChIKey of 1-[2-(4-cyclohexylbutyl)phenyl]ethanone?
The InChIKey is CHMNKJZKQSDKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-15(19)18-14-8-7-13-17(18)12-6-5-11-16-9-3-2-4-10-16/h7-8,13-14,16H,2-6,9-12H2,1H3.
What are the key properties of 1-[2-(4-cyclohexylbutyl)phenyl]ethanone?
1-[2-(4-cyclohexylbutyl)phenyl]ethanone has a molecular weight of 258.40 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-cyclohexylbutyl)phenyl]ethanone is sourced from PubChem (CID 102374896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).