(4-formylphenyl)methylphosphonous acid

C8H9O3P — CID 126604382

IUPAC(4-formylphenyl)methylphosphonous acid
SMILESO=Cc1ccc(CP(O)O)cc1
InChIInChI=1S/C8H9O3P/c9-5-7-1-3-8(4-2-7)6-12(10)11/h1-5,10-11H,6H2
InChIKeyQQDXIVASBRHPCP-UHFFFAOYSA-N
MW184.13 g/mol
LogP1.30
Rot. Bonds3

About (4-formylphenyl)methylphosphonous acid

(4-formylphenyl)methylphosphonous acid (PubChem CID 126604382) has the molecular formula C8H9O3P and a molecular weight of 184.13 g/mol. Its IUPAC name is (4-formylphenyl)methylphosphonous acid.

Molecular Properties

Compound Name(4-formylphenyl)methylphosphonous acid
PubChem CID126604382
Molecular FormulaC8H9O3P
Molecular Weight184.13 g/mol
Exact Mass184.03
IUPAC Name(4-formylphenyl)methylphosphonous acid
SMILESO=Cc1ccc(CP(O)O)cc1
InChIInChI=1S/C8H9O3P/c9-5-7-1-3-8(4-2-7)6-12(10)11/h1-5,10-11H,6H2
InChIKeyQQDXIVASBRHPCP-UHFFFAOYSA-N
XLogP1.30
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.13
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(hydroxymethyl)benzaldehyde;[4-(hydroxymethyl)phenyl]methanol
CID 157111710
3-(4-formylphenyl)propanamide
CID 66485595
4-(2,2-dihydroxyethyl)benzaldehyde
CID 20644922
2-[4-[(4-formylphenyl)methyl]piperazin-1-yl]ethylphosphonous acid
CID 142962773
4-[6-(4-formylphenyl)hexyl]benzaldehyde
CID 174975156
4-(3-oxopropyl)benzaldehyde
CID 12927813
4-(ethylaminomethyl)benzaldehyde
CID 87956656
4-(2-hydroxy-2-methylpropyl)benzaldehyde
CID 105437566
benzene;terephthalaldehyde
CID 163498156
4-[(E)-2-[4-(chloromethyl)phenyl]ethenyl]benzaldehyde
CID 142223936
4-[[benzyl(hydroxy)amino]methyl]benzaldehyde
CID 143874534
(E)-4-(4-formylphenyl)but-2-enoic acid
CID 167512845

Frequently Asked Questions

What is the IUPAC name of (4-formylphenyl)methylphosphonous acid?
The IUPAC name of (4-formylphenyl)methylphosphonous acid (CID 126604382) is (4-formylphenyl)methylphosphonous acid.
What is the SMILES notation for (4-formylphenyl)methylphosphonous acid?
The canonical SMILES for (4-formylphenyl)methylphosphonous acid is O=Cc1ccc(CP(O)O)cc1.
What is the InChIKey of (4-formylphenyl)methylphosphonous acid?
The InChIKey is QQDXIVASBRHPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9O3P/c9-5-7-1-3-8(4-2-7)6-12(10)11/h1-5,10-11H,6H2.
What are the key properties of (4-formylphenyl)methylphosphonous acid?
(4-formylphenyl)methylphosphonous acid has a molecular weight of 184.13 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-formylphenyl)methylphosphonous acid is sourced from PubChem (CID 126604382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).