5-oxo-2-phenylcyclohexane-1-carbaldehyde

C13H14O2 — CID 86204280

IUPAC5-oxo-2-phenylcyclohexane-1-carbaldehyde
SMILESO=CC1CC(=O)CCC1c1ccccc1
InChIInChI=1S/C13H14O2/c14-9-11-8-12(15)6-7-13(11)10-4-2-1-3-5-10/h1-5,9,11,13H,6-8H2
InChIKeyCGEFZCVXGLNZCR-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.34
Rot. Bonds2

About 5-oxo-2-phenylcyclohexane-1-carbaldehyde

5-oxo-2-phenylcyclohexane-1-carbaldehyde (PubChem CID 86204280) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 5-oxo-2-phenylcyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name5-oxo-2-phenylcyclohexane-1-carbaldehyde
PubChem CID86204280
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name5-oxo-2-phenylcyclohexane-1-carbaldehyde
SMILESO=CC1CC(=O)CCC1c1ccccc1
InChIInChI=1S/C13H14O2/c14-9-11-8-12(15)6-7-13(11)10-4-2-1-3-5-10/h1-5,9,11,13H,6-8H2
InChIKeyCGEFZCVXGLNZCR-UHFFFAOYSA-N
XLogP2.34
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.34
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

trans-(4R,5R)-4,5-diphenylcycloheptan-1-one
CID 58293688
2-phenylcycloheptane-1-carbaldehyde;prop-2-enal
CID 87968076
3,4-diphenylcycloheptan-1-one;ethane
CID 123156806
4-benzoyl-3-phenylcyclohexan-1-one
CID 14273389
(5S,6R)-5,6-diphenylpiperidin-2-one
CID 67807202
(5S,6R)-6-methyl-5-phenylpiperidin-2-one
CID 134491126
(8S)-8-phenylcyclodecane-1,3,6-trione
CID 125480091
(3R)-3-phenylcyclohexan-1-one
CID 11041212
2-methyl-3-phenylcyclopentan-1-one
CID 12573116
(1R,8S)-1-phenyl-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione
CID 54515458
(2R)-2-phenylpiperidin-4-one
CID 86319056
(1R,2R)-4-methyl-2-phenylcyclohex-3-ene-1,3-dicarbaldehyde
CID 102406673

Frequently Asked Questions

What is the IUPAC name of 5-oxo-2-phenylcyclohexane-1-carbaldehyde?
The IUPAC name of 5-oxo-2-phenylcyclohexane-1-carbaldehyde (CID 86204280) is 5-oxo-2-phenylcyclohexane-1-carbaldehyde.
What is the SMILES notation for 5-oxo-2-phenylcyclohexane-1-carbaldehyde?
The canonical SMILES for 5-oxo-2-phenylcyclohexane-1-carbaldehyde is O=CC1CC(=O)CCC1c1ccccc1.
What is the InChIKey of 5-oxo-2-phenylcyclohexane-1-carbaldehyde?
The InChIKey is CGEFZCVXGLNZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c14-9-11-8-12(15)6-7-13(11)10-4-2-1-3-5-10/h1-5,9,11,13H,6-8H2.
What are the key properties of 5-oxo-2-phenylcyclohexane-1-carbaldehyde?
5-oxo-2-phenylcyclohexane-1-carbaldehyde has a molecular weight of 202.25 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-2-phenylcyclohexane-1-carbaldehyde is sourced from PubChem (CID 86204280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).