(2-chlorocyclohexyl)-phenylmethanone

C13H15ClO — CID 15563657

IUPAC(2-chlorocyclohexyl)-phenylmethanone
SMILESO=C(c1ccccc1)C1CCCCC1Cl
InChIInChI=1S/C13H15ClO/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2
InChIKeyAPNNAZDTHGTSQY-UHFFFAOYSA-N
MW222.72 g/mol
LogP3.67
Rot. Bonds2

About (2-chlorocyclohexyl)-phenylmethanone

(2-chlorocyclohexyl)-phenylmethanone (PubChem CID 15563657) has the molecular formula C13H15ClO and a molecular weight of 222.72 g/mol. Its IUPAC name is (2-chlorocyclohexyl)-phenylmethanone.

Molecular Properties

Compound Name(2-chlorocyclohexyl)-phenylmethanone
PubChem CID15563657
Molecular FormulaC13H15ClO
Molecular Weight222.72 g/mol
Exact Mass222.08
IUPAC Name(2-chlorocyclohexyl)-phenylmethanone
SMILESO=C(c1ccccc1)C1CCCCC1Cl
InChIInChI=1S/C13H15ClO/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2
InChIKeyAPNNAZDTHGTSQY-UHFFFAOYSA-N
XLogP3.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-chlorocyclohexyl)-phenylmethanone?
The IUPAC name of (2-chlorocyclohexyl)-phenylmethanone (CID 15563657) is (2-chlorocyclohexyl)-phenylmethanone.
What is the SMILES notation for (2-chlorocyclohexyl)-phenylmethanone?
The canonical SMILES for (2-chlorocyclohexyl)-phenylmethanone is O=C(c1ccccc1)C1CCCCC1Cl.
What is the InChIKey of (2-chlorocyclohexyl)-phenylmethanone?
The InChIKey is APNNAZDTHGTSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2.
What are the key properties of (2-chlorocyclohexyl)-phenylmethanone?
(2-chlorocyclohexyl)-phenylmethanone has a molecular weight of 222.72 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorocyclohexyl)-phenylmethanone is sourced from PubChem (CID 15563657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).