2-benzoylcyclohexane-1-carbaldehyde

C14H16O2 — CID 174762479

IUPAC2-benzoylcyclohexane-1-carbaldehyde
SMILESO=CC1CCCCC1C(=O)c1ccccc1
InChIInChI=1S/C14H16O2/c15-10-12-8-4-5-9-13(12)14(16)11-6-2-1-3-7-11/h1-3,6-7,10,12-13H,4-5,8-9H2
InChIKeyCHVQOPOKSOWSQF-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.87
Rot. Bonds3

About 2-benzoylcyclohexane-1-carbaldehyde

2-benzoylcyclohexane-1-carbaldehyde (PubChem CID 174762479) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-benzoylcyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name2-benzoylcyclohexane-1-carbaldehyde
PubChem CID174762479
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name2-benzoylcyclohexane-1-carbaldehyde
SMILESO=CC1CCCCC1C(=O)c1ccccc1
InChIInChI=1S/C14H16O2/c15-10-12-8-4-5-9-13(12)14(16)11-6-2-1-3-7-11/h1-3,6-7,10,12-13H,4-5,8-9H2
InChIKeyCHVQOPOKSOWSQF-UHFFFAOYSA-N
XLogP2.87
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-chlorocyclohexyl)-phenylmethanone
CID 15563657
(2-methylcyclohexyl)-phenylmethanone
CID 13148606
2-benzoylcyclohexane-1-carbonyl chloride
CID 22288669
2-[(1R,2S)-2-benzoylcyclohexyl]-1-phenylethanone
CID 15890035
2-[(1S,2R)-2-benzoylcyclohexyl]-1-phenylethanone
CID 11289756
(1R,2R,3R)-3-benzoyl-2-[(E)-2-phenylethenyl]cyclopentane-1-carbaldehyde
CID 135063555
[(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone
CID 12564065
cyclohexane-1,2-dicarboxylic acid;diphenylmethanone
CID 175435053
[(1R,2R)-2-ethenylcyclopropyl]-phenylmethanone
CID 14120313
[(1S,2S)-2-[(1R)-1-hydroxyprop-2-enyl]cyclopentyl]-phenylmethanone
CID 46221668
[(1R,2S)-2-morpholin-4-ylcyclohexyl]-phenylmethanone
CID 125474477
cyclohexyl(phenyl)methanone;molecular hydrogen
CID 143135360

Frequently Asked Questions

What is the IUPAC name of 2-benzoylcyclohexane-1-carbaldehyde?
The IUPAC name of 2-benzoylcyclohexane-1-carbaldehyde (CID 174762479) is 2-benzoylcyclohexane-1-carbaldehyde.
What is the SMILES notation for 2-benzoylcyclohexane-1-carbaldehyde?
The canonical SMILES for 2-benzoylcyclohexane-1-carbaldehyde is O=CC1CCCCC1C(=O)c1ccccc1.
What is the InChIKey of 2-benzoylcyclohexane-1-carbaldehyde?
The InChIKey is CHVQOPOKSOWSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c15-10-12-8-4-5-9-13(12)14(16)11-6-2-1-3-7-11/h1-3,6-7,10,12-13H,4-5,8-9H2.
What are the key properties of 2-benzoylcyclohexane-1-carbaldehyde?
2-benzoylcyclohexane-1-carbaldehyde has a molecular weight of 216.28 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoylcyclohexane-1-carbaldehyde is sourced from PubChem (CID 174762479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).