2-[[2-bis(2-carboxyphenyl)phosphanyloxyphenoxy]-(2-carboxyphenyl)phosphanyl]benzoic acid

C34H24O10P2 — CID 177097800

IUPAC2-[[2-bis(2-carboxyphenyl)phosphanyloxyphenoxy]-(2-carboxyphenyl)phosphanyl]benzoic acid
SMILESO=C(O)c1ccccc1P(Oc1ccccc1OP(c1ccccc1C(=O)O)c1ccccc1C(=O)O)c1ccccc1C(=O)O
InChIInChI=1S/C34H24O10P2/c35-31(36)21-11-1-7-17-27(21)45(28-18-8-2-12-22(28)32(37)38)43-25-15-5-6-16-26(25)44-46(29-19-9-3-13-23(29)33(39)40)30-20-10-4-14-24(30)34(41)42/h1-20H,(H,35,36)(H,37,38)(H,39,40)(H,41,42)
InChIKeyMUZDXOMCJDPHJD-UHFFFAOYSA-N
MW654.50 g/mol
LogP5.33
Rot. Bonds12

About 2-[[2-bis(2-carboxyphenyl)phosphanyloxyphenoxy]-(2-carboxyphenyl)phosphanyl]benzoic acid

2-[[2-bis(2-carboxyphenyl)phosphanyloxyphenoxy]-(2-carboxyphenyl)phosphanyl]benzoic acid (PubChem CID 177097800) has the molecular formula C34H24O10P2 and a molecular weight of 654.50 g/mol. Its IUPAC name is 2-[[2-bis(2-carboxyphenyl)phosphanyloxyphenoxy]-(2-carboxyphenyl)phosphanyl]benzoic acid.

Molecular Properties

Compound Name2-[[2-bis(2-carboxyphenyl)phosphanyloxyphenoxy]-(2-carboxyphenyl)phosphanyl]benzoic acid
PubChem CID177097800
Molecular FormulaC34H24O10P2
Molecular Weight654.50 g/mol
Exact Mass654.08
IUPAC Name2-[[2-bis(2-carboxyphenyl)phosphanyloxyphenoxy]-(2-carboxyphenyl)phosphanyl]benzoic acid
SMILESO=C(O)c1ccccc1P(Oc1ccccc1OP(c1ccccc1C(=O)O)c1ccccc1C(=O)O)c1ccccc1C(=O)O
InChIInChI=1S/C34H24O10P2/c35-31(36)21-11-1-7-17-27(21)45(28-18-8-2-12-22(28)32(37)38)43-25-15-5-6-16-26(25)44-46(29-19-9-3-13-23(29)33(39)40)30-20-10-4-14-24(30)34(41)42/h1-20H,(H,35,36)(H,37,38)(H,39,40)(H,41,42)
InChIKeyMUZDXOMCJDPHJD-UHFFFAOYSA-N
XLogP5.33
TPSA167.66 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.50
LogP ≤ 55.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[[2-bis(2-carboxyphenyl)phosphanyloxyphenoxy]-(2-carboxyphenyl)phosphanyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(oxygen(2-));phthalic acid;titanium(4+)
CID 161084506
carbonoperoxoic acid;phthalic acid
CID 87562877
2-(2-carboxyphenoxy)benzoic acid;ethene
CID 67642848
bis(2-diphenylphosphanylbenzoic acid);palladium(2+);dichloride
CID 10190846
hydron;phthalic acid
CID 67386665
CID 66717184
CID 66717184
phthalic acid;hydrobromide
CID 71236392
potassium;2-acetyloxybenzoic acid;chloride
CID 161210106
2-acetyloxybenzoic acid;ethene
CID 67877309
2-[dibromo-(2-carboxyphenoxy)methoxy]benzoic acid
CID 142693324
2-sulfooxybenzoic acid;sulfuric acid
CID 68615389
2-phosphorosooxybenzoic acid
CID 69277449

Frequently Asked Questions

What is the IUPAC name of 2-[[2-bis(2-carboxyphenyl)phosphanyloxyphenoxy]-(2-carboxyphenyl)phosphanyl]benzoic acid?
The IUPAC name of 2-[[2-bis(2-carboxyphenyl)phosphanyloxyphenoxy]-(2-carboxyphenyl)phosphanyl]benzoic acid (CID 177097800) is 2-[[2-bis(2-carboxyphenyl)phosphanyloxyphenoxy]-(2-carboxyphenyl)phosphanyl]benzoic acid.
What is the SMILES notation for 2-[[2-bis(2-carboxyphenyl)phosphanyloxyphenoxy]-(2-carboxyphenyl)phosphanyl]benzoic acid?
The canonical SMILES for 2-[[2-bis(2-carboxyphenyl)phosphanyloxyphenoxy]-(2-carboxyphenyl)phosphanyl]benzoic acid is O=C(O)c1ccccc1P(Oc1ccccc1OP(c1ccccc1C(=O)O)c1ccccc1C(=O)O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[[2-bis(2-carboxyphenyl)phosphanyloxyphenoxy]-(2-carboxyphenyl)phosphanyl]benzoic acid?
The InChIKey is MUZDXOMCJDPHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24O10P2/c35-31(36)21-11-1-7-17-27(21)45(28-18-8-2-12-22(28)32(37)38)43-25-15-5-6-16-26(25)44-46(29-19-9-3-13-23(29)33(39)40)30-20-10-4-14-24(30)34(41)42/h1-20H,(H,35,36)(H,37,38)(H,39,40)(H,41,42).
What are the key properties of 2-[[2-bis(2-carboxyphenyl)phosphanyloxyphenoxy]-(2-carboxyphenyl)phosphanyl]benzoic acid?
2-[[2-bis(2-carboxyphenyl)phosphanyloxyphenoxy]-(2-carboxyphenyl)phosphanyl]benzoic acid has a molecular weight of 654.50 g/mol, XLogP of 5.33, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-bis(2-carboxyphenyl)phosphanyloxyphenoxy]-(2-carboxyphenyl)phosphanyl]benzoic acid is sourced from PubChem (CID 177097800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).