2-(4-hydroxy-3-phosphanylphenyl)acetaldehyde

C8H9O2P — CID 144598449

IUPAC2-(4-hydroxy-3-phosphanylphenyl)acetaldehyde
SMILESO=CCc1ccc(O)c(P)c1
InChIInChI=1S/C8H9O2P/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,4-5,10H,3,11H2
InChIKeyZMRGRJXWWBSNKN-UHFFFAOYSA-N
MW168.13 g/mol
LogP0.63
Rot. Bonds2

About 2-(4-hydroxy-3-phosphanylphenyl)acetaldehyde

2-(4-hydroxy-3-phosphanylphenyl)acetaldehyde (PubChem CID 144598449) has the molecular formula C8H9O2P and a molecular weight of 168.13 g/mol. Its IUPAC name is 2-(4-hydroxy-3-phosphanylphenyl)acetaldehyde.

Molecular Properties

Compound Name2-(4-hydroxy-3-phosphanylphenyl)acetaldehyde
PubChem CID144598449
Molecular FormulaC8H9O2P
Molecular Weight168.13 g/mol
Exact Mass168.03
IUPAC Name2-(4-hydroxy-3-phosphanylphenyl)acetaldehyde
SMILESO=CCc1ccc(O)c(P)c1
InChIInChI=1S/C8H9O2P/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,4-5,10H,3,11H2
InChIKeyZMRGRJXWWBSNKN-UHFFFAOYSA-N
XLogP0.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.13
LogP ≤ 50.63
H-Bond Donors ≤ 51
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-(4-hydroxy-3-phosphanylphenyl)acetaldehyde?
The IUPAC name of 2-(4-hydroxy-3-phosphanylphenyl)acetaldehyde (CID 144598449) is 2-(4-hydroxy-3-phosphanylphenyl)acetaldehyde.
What is the SMILES notation for 2-(4-hydroxy-3-phosphanylphenyl)acetaldehyde?
The canonical SMILES for 2-(4-hydroxy-3-phosphanylphenyl)acetaldehyde is O=CCc1ccc(O)c(P)c1.
What is the InChIKey of 2-(4-hydroxy-3-phosphanylphenyl)acetaldehyde?
The InChIKey is ZMRGRJXWWBSNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9O2P/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,4-5,10H,3,11H2.
What are the key properties of 2-(4-hydroxy-3-phosphanylphenyl)acetaldehyde?
2-(4-hydroxy-3-phosphanylphenyl)acetaldehyde has a molecular weight of 168.13 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-phosphanylphenyl)acetaldehyde is sourced from PubChem (CID 144598449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).