4-diphenylphosphanyl-3-hydroxybenzoic acid

C19H15O3P — CID 101171286

IUPAC4-diphenylphosphanyl-3-hydroxybenzoic acid
SMILESO=C(O)c1ccc(P(c2ccccc2)c2ccccc2)c(O)c1
InChIInChI=1S/C19H15O3P/c20-17-13-14(19(21)22)11-12-18(17)23(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,20H,(H,21,22)
InChIKeyCVSMTONTCGOSHO-UHFFFAOYSA-N
MW322.30 g/mol
LogP2.85
Rot. Bonds4

About 4-diphenylphosphanyl-3-hydroxybenzoic acid

4-diphenylphosphanyl-3-hydroxybenzoic acid (PubChem CID 101171286) has the molecular formula C19H15O3P and a molecular weight of 322.30 g/mol. Its IUPAC name is 4-diphenylphosphanyl-3-hydroxybenzoic acid.

Molecular Properties

Compound Name4-diphenylphosphanyl-3-hydroxybenzoic acid
PubChem CID101171286
Molecular FormulaC19H15O3P
Molecular Weight322.30 g/mol
Exact Mass322.08
IUPAC Name4-diphenylphosphanyl-3-hydroxybenzoic acid
SMILESO=C(O)c1ccc(P(c2ccccc2)c2ccccc2)c(O)c1
InChIInChI=1S/C19H15O3P/c20-17-13-14(19(21)22)11-12-18(17)23(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,20H,(H,21,22)
InChIKeyCVSMTONTCGOSHO-UHFFFAOYSA-N
XLogP2.85
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.30
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-diphenylphosphanyl-3-hydroxybenzoic acid?
The IUPAC name of 4-diphenylphosphanyl-3-hydroxybenzoic acid (CID 101171286) is 4-diphenylphosphanyl-3-hydroxybenzoic acid.
What is the SMILES notation for 4-diphenylphosphanyl-3-hydroxybenzoic acid?
The canonical SMILES for 4-diphenylphosphanyl-3-hydroxybenzoic acid is O=C(O)c1ccc(P(c2ccccc2)c2ccccc2)c(O)c1.
What is the InChIKey of 4-diphenylphosphanyl-3-hydroxybenzoic acid?
The InChIKey is CVSMTONTCGOSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15O3P/c20-17-13-14(19(21)22)11-12-18(17)23(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,20H,(H,21,22).
What are the key properties of 4-diphenylphosphanyl-3-hydroxybenzoic acid?
4-diphenylphosphanyl-3-hydroxybenzoic acid has a molecular weight of 322.30 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diphenylphosphanyl-3-hydroxybenzoic acid is sourced from PubChem (CID 101171286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).