4-diphenylphosphanylbenzoic acid

C19H15O2P — CID 627824

IUPAC4-diphenylphosphanylbenzoic acid
SMILESO=C(O)c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H15O2P/c20-19(21)15-11-13-18(14-12-15)22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H,(H,20,21)
InChIKeyGXMHDTPYKRTARV-UHFFFAOYSA-N
MW306.30 g/mol
LogP3.14
Rot. Bonds4

About 4-diphenylphosphanylbenzoic acid

4-diphenylphosphanylbenzoic acid (PubChem CID 627824) has the molecular formula C19H15O2P and a molecular weight of 306.30 g/mol. Its IUPAC name is 4-diphenylphosphanylbenzoic acid.

Molecular Properties

Compound Name4-diphenylphosphanylbenzoic acid
PubChem CID627824
Molecular FormulaC19H15O2P
Molecular Weight306.30 g/mol
Exact Mass306.08
IUPAC Name4-diphenylphosphanylbenzoic acid
SMILESO=C(O)c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H15O2P/c20-19(21)15-11-13-18(14-12-15)22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H,(H,20,21)
InChIKeyGXMHDTPYKRTARV-UHFFFAOYSA-N
XLogP3.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-diphenylphosphanylbenzoic acid?
The IUPAC name of 4-diphenylphosphanylbenzoic acid (CID 627824) is 4-diphenylphosphanylbenzoic acid.
What is the SMILES notation for 4-diphenylphosphanylbenzoic acid?
The canonical SMILES for 4-diphenylphosphanylbenzoic acid is O=C(O)c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-diphenylphosphanylbenzoic acid?
The InChIKey is GXMHDTPYKRTARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15O2P/c20-19(21)15-11-13-18(14-12-15)22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H,(H,20,21).
What are the key properties of 4-diphenylphosphanylbenzoic acid?
4-diphenylphosphanylbenzoic acid has a molecular weight of 306.30 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diphenylphosphanylbenzoic acid is sourced from PubChem (CID 627824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).