2-[2-[[2-(carboxymethyl)phenyl]-phenylphosphanyl]phenyl]acetic acid

C22H19O4P — CID 101007725

IUPAC2-[2-[[2-(carboxymethyl)phenyl]-phenylphosphanyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1P(c1ccccc1)c1ccccc1CC(=O)O
InChIInChI=1S/C22H19O4P/c23-21(24)14-16-8-4-6-12-19(16)27(18-10-2-1-3-11-18)20-13-7-5-9-17(20)15-22(25)26/h1-13H,14-15H2,(H,23,24)(H,25,26)
InChIKeyJCELKSCAJCSNOK-UHFFFAOYSA-N
MW378.36 g/mol
LogP2.70
Rot. Bonds7

About 2-[2-[[2-(carboxymethyl)phenyl]-phenylphosphanyl]phenyl]acetic acid

2-[2-[[2-(carboxymethyl)phenyl]-phenylphosphanyl]phenyl]acetic acid (PubChem CID 101007725) has the molecular formula C22H19O4P and a molecular weight of 378.36 g/mol. Its IUPAC name is 2-[2-[[2-(carboxymethyl)phenyl]-phenylphosphanyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-(carboxymethyl)phenyl]-phenylphosphanyl]phenyl]acetic acid
PubChem CID101007725
Molecular FormulaC22H19O4P
Molecular Weight378.36 g/mol
Exact Mass378.10
IUPAC Name2-[2-[[2-(carboxymethyl)phenyl]-phenylphosphanyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1P(c1ccccc1)c1ccccc1CC(=O)O
InChIInChI=1S/C22H19O4P/c23-21(24)14-16-8-4-6-12-19(16)27(18-10-2-1-3-11-18)20-13-7-5-9-17(20)15-22(25)26/h1-13H,14-15H2,(H,23,24)(H,25,26)
InChIKeyJCELKSCAJCSNOK-UHFFFAOYSA-N
XLogP2.70
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-ethylphenyl)-diphenylphosphane;hydrobromide
CID 172692670
2-(2-diphenylphosphanylphenyl)ethane-1,1,1-triol
CID 155445648
1-[2-[[2-[(dimethylamino)methyl]phenyl]-phenylphosphanyl]phenyl]-N,N-dimethylmethanamine
CID 15039376
2-(2-diphenylphosphanylphenyl)ethanol;hydrochloride
CID 172741972
CID 172781038
CID 172781038
CID 172781001
CID 172781001
2-chloroacetic acid;triphenylphosphane
CID 158594327
[2-(iodomethyl)phenyl]-diphenylphosphane;hydroiodide
CID 172706183
[2-(chloromethyl)phenyl]-diphenylphosphane;hydrochloride
CID 172706250
1-(2-diphenylphosphanylphenyl)-2-methylpropan-1-one
CID 146507667
1-(2-diphenylphosphanylphenyl)-2-phenylethanone
CID 59804946
azane;bis(2-(2-hydroxyphenyl)acetic acid)
CID 70465939

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(carboxymethyl)phenyl]-phenylphosphanyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[[2-(carboxymethyl)phenyl]-phenylphosphanyl]phenyl]acetic acid (CID 101007725) is 2-[2-[[2-(carboxymethyl)phenyl]-phenylphosphanyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[2-(carboxymethyl)phenyl]-phenylphosphanyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[2-(carboxymethyl)phenyl]-phenylphosphanyl]phenyl]acetic acid is O=C(O)Cc1ccccc1P(c1ccccc1)c1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-[[2-(carboxymethyl)phenyl]-phenylphosphanyl]phenyl]acetic acid?
The InChIKey is JCELKSCAJCSNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19O4P/c23-21(24)14-16-8-4-6-12-19(16)27(18-10-2-1-3-11-18)20-13-7-5-9-17(20)15-22(25)26/h1-13H,14-15H2,(H,23,24)(H,25,26).
What are the key properties of 2-[2-[[2-(carboxymethyl)phenyl]-phenylphosphanyl]phenyl]acetic acid?
2-[2-[[2-(carboxymethyl)phenyl]-phenylphosphanyl]phenyl]acetic acid has a molecular weight of 378.36 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(carboxymethyl)phenyl]-phenylphosphanyl]phenyl]acetic acid is sourced from PubChem (CID 101007725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).