2-(4-phosphanylphenyl)benzoic acid

C13H11O2P — CID 58612433

IUPAC2-(4-phosphanylphenyl)benzoic acid
SMILESO=C(O)c1ccccc1-c1ccc(P)cc1
InChIInChI=1S/C13H11O2P/c14-13(15)12-4-2-1-3-11(12)9-5-7-10(16)8-6-9/h1-8H,16H2,(H,14,15)
InChIKeyZUVPGHQUEKNZTH-UHFFFAOYSA-N
MW230.20 g/mol
LogP2.55
Rot. Bonds2

About 2-(4-phosphanylphenyl)benzoic acid

2-(4-phosphanylphenyl)benzoic acid (PubChem CID 58612433) has the molecular formula C13H11O2P and a molecular weight of 230.20 g/mol. Its IUPAC name is 2-(4-phosphanylphenyl)benzoic acid.

Molecular Properties

Compound Name2-(4-phosphanylphenyl)benzoic acid
PubChem CID58612433
Molecular FormulaC13H11O2P
Molecular Weight230.20 g/mol
Exact Mass230.05
IUPAC Name2-(4-phosphanylphenyl)benzoic acid
SMILESO=C(O)c1ccccc1-c1ccc(P)cc1
InChIInChI=1S/C13H11O2P/c14-13(15)12-4-2-1-3-11(12)9-5-7-10(16)8-6-9/h1-8H,16H2,(H,14,15)
InChIKeyZUVPGHQUEKNZTH-UHFFFAOYSA-N
XLogP2.55
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.20
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

acetylene;2-phenylbenzoic acid
CID 67726329
2-[3,5-bis(2-carboxyphenyl)phenyl]benzoic acid
CID 21428532
phenylphosphane;phthalic acid
CID 162050556
2-[2-(2-phenylphenyl)phenyl]benzoic acid
CID 141238749
2-(4-cyanophenyl)benzoic acid
CID 2757952
2-(2-carboxyphenyl)benzoic acid;cobalt
CID 159898458
2-[3,4-bis(2-carboxyphenyl)phenyl]benzoic acid
CID 154122846
benzoic acid;ethane;bis(2-phenylbenzoic acid)
CID 158851382
4-(2-carboxyphenyl)-2-(4-carboxyphenyl)benzoic acid
CID 102275934
2-[4-[(E)-2-carboxyethenyl]phenyl]benzoic acid
CID 170872362
2-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]benzoic acid
CID 168604342
5-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid
CID 53218447

Frequently Asked Questions

What is the IUPAC name of 2-(4-phosphanylphenyl)benzoic acid?
The IUPAC name of 2-(4-phosphanylphenyl)benzoic acid (CID 58612433) is 2-(4-phosphanylphenyl)benzoic acid.
What is the SMILES notation for 2-(4-phosphanylphenyl)benzoic acid?
The canonical SMILES for 2-(4-phosphanylphenyl)benzoic acid is O=C(O)c1ccccc1-c1ccc(P)cc1.
What is the InChIKey of 2-(4-phosphanylphenyl)benzoic acid?
The InChIKey is ZUVPGHQUEKNZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11O2P/c14-13(15)12-4-2-1-3-11(12)9-5-7-10(16)8-6-9/h1-8H,16H2,(H,14,15).
What are the key properties of 2-(4-phosphanylphenyl)benzoic acid?
2-(4-phosphanylphenyl)benzoic acid has a molecular weight of 230.20 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phosphanylphenyl)benzoic acid is sourced from PubChem (CID 58612433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).