4-phenyl-3-phosphanylbenzaldehyde

C13H11OP — CID 118281637

IUPAC4-phenyl-3-phosphanylbenzaldehyde
SMILESO=Cc1ccc(-c2ccccc2)c(P)c1
InChIInChI=1S/C13H11OP/c14-9-10-6-7-12(13(15)8-10)11-4-2-1-3-5-11/h1-9H,15H2
InChIKeyNYAGSAISHFVBKQ-UHFFFAOYSA-N
MW214.20 g/mol
LogP2.67
Rot. Bonds2

About 4-phenyl-3-phosphanylbenzaldehyde

4-phenyl-3-phosphanylbenzaldehyde (PubChem CID 118281637) has the molecular formula C13H11OP and a molecular weight of 214.20 g/mol. Its IUPAC name is 4-phenyl-3-phosphanylbenzaldehyde.

Molecular Properties

Compound Name4-phenyl-3-phosphanylbenzaldehyde
PubChem CID118281637
Molecular FormulaC13H11OP
Molecular Weight214.20 g/mol
Exact Mass214.05
IUPAC Name4-phenyl-3-phosphanylbenzaldehyde
SMILESO=Cc1ccc(-c2ccccc2)c(P)c1
InChIInChI=1S/C13H11OP/c14-9-10-6-7-12(13(15)8-10)11-4-2-1-3-5-11/h1-9H,15H2
InChIKeyNYAGSAISHFVBKQ-UHFFFAOYSA-N
XLogP2.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 52.67
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'}

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Related Compounds

3,4-bis(2-phenylphenyl)benzaldehyde
CID 141272209
3-hydroxy-4-phenylbenzaldehyde
CID 23143847
4-phenyl-3-propan-2-yloxybenzaldehyde
CID 91131108
3-phenyl-4-(trifluoromethyl)benzaldehyde
CID 46314974
6-(4-phenylphenyl)naphthalene-2-carbaldehyde
CID 59801235
9,10-diphenylphenanthrene-3-carbaldehyde
CID 102277124
3-[[benzyl(ethyl)amino]methyl]-4-phenylbenzaldehyde
CID 89003105
benzene;terephthalaldehyde
CID 163498156
4-(4-formyl-2-hydroxyphenyl)-3-hydroxybenzaldehyde
CID 176967469
4-(4-methylpiperazin-1-yl)-3-phenylbenzaldehyde
CID 11482900
3-methyl-4-(4-methylphenyl)benzaldehyde
CID 81447593
3,4-dipyridin-4-ylbenzaldehyde
CID 46316389

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-phosphanylbenzaldehyde?
The IUPAC name of 4-phenyl-3-phosphanylbenzaldehyde (CID 118281637) is 4-phenyl-3-phosphanylbenzaldehyde.
What is the SMILES notation for 4-phenyl-3-phosphanylbenzaldehyde?
The canonical SMILES for 4-phenyl-3-phosphanylbenzaldehyde is O=Cc1ccc(-c2ccccc2)c(P)c1.
What is the InChIKey of 4-phenyl-3-phosphanylbenzaldehyde?
The InChIKey is NYAGSAISHFVBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11OP/c14-9-10-6-7-12(13(15)8-10)11-4-2-1-3-5-11/h1-9H,15H2.
What are the key properties of 4-phenyl-3-phosphanylbenzaldehyde?
4-phenyl-3-phosphanylbenzaldehyde has a molecular weight of 214.20 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-phosphanylbenzaldehyde is sourced from PubChem (CID 118281637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).