3-diphenylphosphanylcyclopenta-2,4-diene-1-carbaldehyde

C18H15OP — CID 175236058

IUPAC3-diphenylphosphanylcyclopenta-2,4-diene-1-carbaldehyde
SMILESO=CC1C=CC(P(c2ccccc2)c2ccccc2)=C1
InChIInChI=1S/C18H15OP/c19-14-15-11-12-18(13-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-15H
InChIKeyWCOJXWNLDKOPFM-UHFFFAOYSA-N
MW278.29 g/mol
LogP3.39
Rot. Bonds4

About 3-diphenylphosphanylcyclopenta-2,4-diene-1-carbaldehyde

3-diphenylphosphanylcyclopenta-2,4-diene-1-carbaldehyde (PubChem CID 175236058) has the molecular formula C18H15OP and a molecular weight of 278.29 g/mol. Its IUPAC name is 3-diphenylphosphanylcyclopenta-2,4-diene-1-carbaldehyde.

Molecular Properties

Compound Name3-diphenylphosphanylcyclopenta-2,4-diene-1-carbaldehyde
PubChem CID175236058
Molecular FormulaC18H15OP
Molecular Weight278.29 g/mol
Exact Mass278.09
IUPAC Name3-diphenylphosphanylcyclopenta-2,4-diene-1-carbaldehyde
SMILESO=CC1C=CC(P(c2ccccc2)c2ccccc2)=C1
InChIInChI=1S/C18H15OP/c19-14-15-11-12-18(13-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-15H
InChIKeyWCOJXWNLDKOPFM-UHFFFAOYSA-N
XLogP3.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-diphenylphosphanylcyclopenta-2,4-diene-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

triphenylphosphane
CID 139056248
3-methylcyclopenta-2,4-diene-1-carbaldehyde
CID 131862306
cyclopenta-1,4-dien-1-yl(diphenyl)phosphane
CID 3524393
tris(triphenylphosphane);hydrobromide
CID 172722268
tris(triphenylphosphane);trihydrochloride
CID 173282987
palladium;bis(triphenylphosphane)
CID 10122028
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
silane;triphenylphosphane
CID 161037280
plutonium;triphenylphosphane
CID 161300359
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
triphenylphosphane;yttrium
CID 139917776
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134

Frequently Asked Questions

What is the IUPAC name of 3-diphenylphosphanylcyclopenta-2,4-diene-1-carbaldehyde?
The IUPAC name of 3-diphenylphosphanylcyclopenta-2,4-diene-1-carbaldehyde (CID 175236058) is 3-diphenylphosphanylcyclopenta-2,4-diene-1-carbaldehyde.
What is the SMILES notation for 3-diphenylphosphanylcyclopenta-2,4-diene-1-carbaldehyde?
The canonical SMILES for 3-diphenylphosphanylcyclopenta-2,4-diene-1-carbaldehyde is O=CC1C=CC(P(c2ccccc2)c2ccccc2)=C1.
What is the InChIKey of 3-diphenylphosphanylcyclopenta-2,4-diene-1-carbaldehyde?
The InChIKey is WCOJXWNLDKOPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15OP/c19-14-15-11-12-18(13-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-15H.
What are the key properties of 3-diphenylphosphanylcyclopenta-2,4-diene-1-carbaldehyde?
3-diphenylphosphanylcyclopenta-2,4-diene-1-carbaldehyde has a molecular weight of 278.29 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diphenylphosphanylcyclopenta-2,4-diene-1-carbaldehyde is sourced from PubChem (CID 175236058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).