2-diphenylphosphorylcyclohexene-1-carbaldehyde

C19H19O2P — CID 16767563

IUPAC2-diphenylphosphorylcyclohexene-1-carbaldehyde
SMILESO=CC1=C(P(=O)(c2ccccc2)c2ccccc2)CCCC1
InChIInChI=1S/C19H19O2P/c20-15-16-9-7-8-14-19(16)22(21,17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-6,10-13,15H,7-9,14H2
InChIKeyPUYANHLHYOWWHR-UHFFFAOYSA-N
MW310.33 g/mol
LogP4.03
Rot. Bonds4

About 2-diphenylphosphorylcyclohexene-1-carbaldehyde

2-diphenylphosphorylcyclohexene-1-carbaldehyde (PubChem CID 16767563) has the molecular formula C19H19O2P and a molecular weight of 310.33 g/mol. Its IUPAC name is 2-diphenylphosphorylcyclohexene-1-carbaldehyde.

Molecular Properties

Compound Name2-diphenylphosphorylcyclohexene-1-carbaldehyde
PubChem CID16767563
Molecular FormulaC19H19O2P
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name2-diphenylphosphorylcyclohexene-1-carbaldehyde
SMILESO=CC1=C(P(=O)(c2ccccc2)c2ccccc2)CCCC1
InChIInChI=1S/C19H19O2P/c20-15-16-9-7-8-14-19(16)22(21,17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-6,10-13,15H,7-9,14H2
InChIKeyPUYANHLHYOWWHR-UHFFFAOYSA-N
XLogP4.03
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphorylcyclohexene-1-carbaldehyde?
The IUPAC name of 2-diphenylphosphorylcyclohexene-1-carbaldehyde (CID 16767563) is 2-diphenylphosphorylcyclohexene-1-carbaldehyde.
What is the SMILES notation for 2-diphenylphosphorylcyclohexene-1-carbaldehyde?
The canonical SMILES for 2-diphenylphosphorylcyclohexene-1-carbaldehyde is O=CC1=C(P(=O)(c2ccccc2)c2ccccc2)CCCC1.
What is the InChIKey of 2-diphenylphosphorylcyclohexene-1-carbaldehyde?
The InChIKey is PUYANHLHYOWWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19O2P/c20-15-16-9-7-8-14-19(16)22(21,17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-6,10-13,15H,7-9,14H2.
What are the key properties of 2-diphenylphosphorylcyclohexene-1-carbaldehyde?
2-diphenylphosphorylcyclohexene-1-carbaldehyde has a molecular weight of 310.33 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphorylcyclohexene-1-carbaldehyde is sourced from PubChem (CID 16767563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).