1-(4-chlorophenyl)-2-cyclohexylideneethanone

C14H15ClO — CID 103457870

IUPAC1-(4-chlorophenyl)-2-cyclohexylideneethanone
SMILESO=C(C=C1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H15ClO/c15-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11/h6-10H,1-5H2
InChIKeyMWSUWKGGOAEIJX-UHFFFAOYSA-N
MW234.73 g/mol
LogP4.41
Rot. Bonds2

About 1-(4-chlorophenyl)-2-cyclohexylideneethanone

1-(4-chlorophenyl)-2-cyclohexylideneethanone (PubChem CID 103457870) has the molecular formula C14H15ClO and a molecular weight of 234.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-cyclohexylideneethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-cyclohexylideneethanone
PubChem CID103457870
Molecular FormulaC14H15ClO
Molecular Weight234.73 g/mol
Exact Mass234.08
IUPAC Name1-(4-chlorophenyl)-2-cyclohexylideneethanone
SMILESO=C(C=C1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H15ClO/c15-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11/h6-10H,1-5H2
InChIKeyMWSUWKGGOAEIJX-UHFFFAOYSA-N
XLogP4.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-cyclohexylideneethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-cyclohexylideneethanone (CID 103457870) is 1-(4-chlorophenyl)-2-cyclohexylideneethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-cyclohexylideneethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-cyclohexylideneethanone is O=C(C=C1CCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-cyclohexylideneethanone?
The InChIKey is MWSUWKGGOAEIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO/c15-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11/h6-10H,1-5H2.
What are the key properties of 1-(4-chlorophenyl)-2-cyclohexylideneethanone?
1-(4-chlorophenyl)-2-cyclohexylideneethanone has a molecular weight of 234.73 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-cyclohexylideneethanone is sourced from PubChem (CID 103457870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).