2-[phenyl-(2-phenylmethoxyphenyl)phosphoryl]acetic acid

C21H19O4P — CID 1002786

IUPAC2-[phenyl-(2-phenylmethoxyphenyl)phosphoryl]acetic acid
SMILESO=C(O)CP(=O)(c1ccccc1)c1ccccc1OCc1ccccc1
InChIInChI=1S/C21H19O4P/c22-21(23)16-26(24,18-11-5-2-6-12-18)20-14-8-7-13-19(20)25-15-17-9-3-1-4-10-17/h1-14H,15-16H2,(H,22,23)
InChIKeyZLHZEOXXWGSWRO-UHFFFAOYSA-N
MW366.35 g/mol
LogP3.66
Rot. Bonds7

About 2-[phenyl-(2-phenylmethoxyphenyl)phosphoryl]acetic acid

2-[phenyl-(2-phenylmethoxyphenyl)phosphoryl]acetic acid (PubChem CID 1002786) has the molecular formula C21H19O4P and a molecular weight of 366.35 g/mol. Its IUPAC name is 2-[phenyl-(2-phenylmethoxyphenyl)phosphoryl]acetic acid.

Molecular Properties

Compound Name2-[phenyl-(2-phenylmethoxyphenyl)phosphoryl]acetic acid
PubChem CID1002786
Molecular FormulaC21H19O4P
Molecular Weight366.35 g/mol
Exact Mass366.10
IUPAC Name2-[phenyl-(2-phenylmethoxyphenyl)phosphoryl]acetic acid
SMILESO=C(O)CP(=O)(c1ccccc1)c1ccccc1OCc1ccccc1
InChIInChI=1S/C21H19O4P/c22-21(23)16-26(24,18-11-5-2-6-12-18)20-14-8-7-13-19(20)25-15-17-9-3-1-4-10-17/h1-14H,15-16H2,(H,22,23)
InChIKeyZLHZEOXXWGSWRO-UHFFFAOYSA-N
XLogP3.66
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-phenylmethoxybenzoyl chloride
CID 10999355
2-phenyl-3-phenylmethoxybenzoic acid
CID 174811177
N'-benzoyl-2-phenylmethoxybenzohydrazide
CID 4938014
4-(2-phenylmethoxyphenyl)furan-2-carboxylic acid
CID 23062503
2-(diphenylphosphorylmethoxy)phenol
CID 13354416
1-diphenylphosphoryl-4-phenylmethoxybenzene
CID 86086109
2-(2-methyl-6-phenylmethoxyphenyl)acetic acid
CID 14519888
N-tert-butyl-2-phenylmethoxybenzamide
CID 4946348
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide
CID 101339913
2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide
CID 155221310
2-bromo-1-(2-phenylmethoxyphenyl)ethanone
CID 12541850
2,2-dibromo-1-(2-phenylmethoxyphenyl)ethanone
CID 87515751

Frequently Asked Questions

What is the IUPAC name of 2-[phenyl-(2-phenylmethoxyphenyl)phosphoryl]acetic acid?
The IUPAC name of 2-[phenyl-(2-phenylmethoxyphenyl)phosphoryl]acetic acid (CID 1002786) is 2-[phenyl-(2-phenylmethoxyphenyl)phosphoryl]acetic acid.
What is the SMILES notation for 2-[phenyl-(2-phenylmethoxyphenyl)phosphoryl]acetic acid?
The canonical SMILES for 2-[phenyl-(2-phenylmethoxyphenyl)phosphoryl]acetic acid is O=C(O)CP(=O)(c1ccccc1)c1ccccc1OCc1ccccc1.
What is the InChIKey of 2-[phenyl-(2-phenylmethoxyphenyl)phosphoryl]acetic acid?
The InChIKey is ZLHZEOXXWGSWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19O4P/c22-21(23)16-26(24,18-11-5-2-6-12-18)20-14-8-7-13-19(20)25-15-17-9-3-1-4-10-17/h1-14H,15-16H2,(H,22,23).
What are the key properties of 2-[phenyl-(2-phenylmethoxyphenyl)phosphoryl]acetic acid?
2-[phenyl-(2-phenylmethoxyphenyl)phosphoryl]acetic acid has a molecular weight of 366.35 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[phenyl-(2-phenylmethoxyphenyl)phosphoryl]acetic acid is sourced from PubChem (CID 1002786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).