2-benzoylcyclohexane-1-carbonyl chloride

C14H15ClO2 — CID 22288669

IUPAC2-benzoylcyclohexane-1-carbonyl chloride
SMILESO=C(Cl)C1CCCCC1C(=O)c1ccccc1
InChIInChI=1S/C14H15ClO2/c15-14(17)12-9-5-4-8-11(12)13(16)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2
InChIKeyJQBBJWAYIJFQKB-UHFFFAOYSA-N
MW250.72 g/mol
LogP3.44
Rot. Bonds3

About 2-benzoylcyclohexane-1-carbonyl chloride

2-benzoylcyclohexane-1-carbonyl chloride (PubChem CID 22288669) has the molecular formula C14H15ClO2 and a molecular weight of 250.72 g/mol. Its IUPAC name is 2-benzoylcyclohexane-1-carbonyl chloride.

Molecular Properties

Compound Name2-benzoylcyclohexane-1-carbonyl chloride
PubChem CID22288669
Molecular FormulaC14H15ClO2
Molecular Weight250.72 g/mol
Exact Mass250.08
IUPAC Name2-benzoylcyclohexane-1-carbonyl chloride
SMILESO=C(Cl)C1CCCCC1C(=O)c1ccccc1
InChIInChI=1S/C14H15ClO2/c15-14(17)12-9-5-4-8-11(12)13(16)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2
InChIKeyJQBBJWAYIJFQKB-UHFFFAOYSA-N
XLogP3.44
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.72
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-benzoylcyclohexane-1-carbonyl chloride?
The IUPAC name of 2-benzoylcyclohexane-1-carbonyl chloride (CID 22288669) is 2-benzoylcyclohexane-1-carbonyl chloride.
What is the SMILES notation for 2-benzoylcyclohexane-1-carbonyl chloride?
The canonical SMILES for 2-benzoylcyclohexane-1-carbonyl chloride is O=C(Cl)C1CCCCC1C(=O)c1ccccc1.
What is the InChIKey of 2-benzoylcyclohexane-1-carbonyl chloride?
The InChIKey is JQBBJWAYIJFQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO2/c15-14(17)12-9-5-4-8-11(12)13(16)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2.
What are the key properties of 2-benzoylcyclohexane-1-carbonyl chloride?
2-benzoylcyclohexane-1-carbonyl chloride has a molecular weight of 250.72 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoylcyclohexane-1-carbonyl chloride is sourced from PubChem (CID 22288669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).