1-phenylcyclohexane-1-carbaldehyde

C13H16O — CID 14922606

IUPAC1-phenylcyclohexane-1-carbaldehyde
SMILESO=CC1(c2ccccc2)CCCCC1
InChIInChI=1S/C13H16O/c14-11-13(9-5-2-6-10-13)12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10H2
InChIKeyCHNMUXHAGUGWJF-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.09
Rot. Bonds2

About 1-phenylcyclohexane-1-carbaldehyde

1-phenylcyclohexane-1-carbaldehyde (PubChem CID 14922606) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-phenylcyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-phenylcyclohexane-1-carbaldehyde
PubChem CID14922606
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name1-phenylcyclohexane-1-carbaldehyde
SMILESO=CC1(c2ccccc2)CCCCC1
InChIInChI=1S/C13H16O/c14-11-13(9-5-2-6-10-13)12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10H2
InChIKeyCHNMUXHAGUGWJF-UHFFFAOYSA-N
XLogP3.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-phenylcyclopropane-1-carbaldehyde
CID 11008055
1-(4-chlorophenyl)cyclohexane-1-carbaldehyde
CID 21475899
1-(4-bromophenyl)cyclohexane-1-carbaldehyde
CID 82133968
1-(3-chlorophenyl)cyclohexane-1-carbaldehyde
CID 82127956
1-(4-methoxyphenyl)cyclohexane-1-carbaldehyde
CID 23587235
1-(3-chlorophenyl)cyclopentane-1-carbaldehyde
CID 14382190
1,1-diphenylcyclotetradecane
CID 175822005
ethene;1-methyl-4-phenylpiperidine-4-carbaldehyde
CID 143193860
1-benzhydryl-4-phenylpiperidine-4-carbaldehyde
CID 10428299
(3R)-3-phenyloxolane-3-carbaldehyde
CID 98041318
1-(2-chlorophenyl)cyclohexane-1-carbaldehyde
CID 82127955
1-(3,4-difluorophenyl)cyclohexane-1-carbaldehyde
CID 86614756

Frequently Asked Questions

What is the IUPAC name of 1-phenylcyclohexane-1-carbaldehyde?
The IUPAC name of 1-phenylcyclohexane-1-carbaldehyde (CID 14922606) is 1-phenylcyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-phenylcyclohexane-1-carbaldehyde?
The canonical SMILES for 1-phenylcyclohexane-1-carbaldehyde is O=CC1(c2ccccc2)CCCCC1.
What is the InChIKey of 1-phenylcyclohexane-1-carbaldehyde?
The InChIKey is CHNMUXHAGUGWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c14-11-13(9-5-2-6-10-13)12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10H2.
What are the key properties of 1-phenylcyclohexane-1-carbaldehyde?
1-phenylcyclohexane-1-carbaldehyde has a molecular weight of 188.27 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylcyclohexane-1-carbaldehyde is sourced from PubChem (CID 14922606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).