3-[hydroxy(phenyl)phosphoryl]-2-phenylpropanoic acid

C15H15O4P — CID 18472890

IUPAC3-[hydroxy(phenyl)phosphoryl]-2-phenylpropanoic acid
SMILESO=C(O)C(CP(=O)(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15O4P/c16-15(17)14(12-7-3-1-4-8-12)11-20(18,19)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,16,17)(H,18,19)
InChIKeyFNBYCCJZZSVSTQ-UHFFFAOYSA-N
MW290.25 g/mol
LogP2.45
Rot. Bonds5

About 3-[hydroxy(phenyl)phosphoryl]-2-phenylpropanoic acid

3-[hydroxy(phenyl)phosphoryl]-2-phenylpropanoic acid (PubChem CID 18472890) has the molecular formula C15H15O4P and a molecular weight of 290.25 g/mol. Its IUPAC name is 3-[hydroxy(phenyl)phosphoryl]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[hydroxy(phenyl)phosphoryl]-2-phenylpropanoic acid
PubChem CID18472890
Molecular FormulaC15H15O4P
Molecular Weight290.25 g/mol
Exact Mass290.07
IUPAC Name3-[hydroxy(phenyl)phosphoryl]-2-phenylpropanoic acid
SMILESO=C(O)C(CP(=O)(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15O4P/c16-15(17)14(12-7-3-1-4-8-12)11-20(18,19)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,16,17)(H,18,19)
InChIKeyFNBYCCJZZSVSTQ-UHFFFAOYSA-N
XLogP2.45
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 52.45
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-[3-(diaminomethylideneamino)phenyl]-3-[hydroxy(phenyl)phosphoryl]propanoic acid
CID 10236936
3-[hydroxy(1-phenylpropan-2-yl)phosphoryl]-2-phenylpropanoic acid
CID 140995266
2-methylpropyl(phenyl)phosphinic acid
CID 793404
3-[butyl(hydroxy)phosphoryl]-2-phenylpropanoic acid
CID 18472835
(2S)-2,3-diphenylpropanoic acid
CID 737125
3-[hydroxy(pyridin-2-ylmethyl)phosphoryl]-2-phenylpropanoic acid
CID 18472794
2-phenylbutanedioic acid
CID 161009404
2-phenyl-3-phosphanylpropanoic acid
CID 174900432
europium;tris(2-phenylbutanedioic acid)
CID 156846982
(2R)-4,4-difluoro-2-phenylbutanoic acid
CID 95757342
3-[4-(hydroxymethyl)phenyl]-2-phenylpropanoic acid
CID 82160875
(2R)-2-phenyl-2-(phosphonomethylamino)acetic acid
CID 10610342

Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy(phenyl)phosphoryl]-2-phenylpropanoic acid?
The IUPAC name of 3-[hydroxy(phenyl)phosphoryl]-2-phenylpropanoic acid (CID 18472890) is 3-[hydroxy(phenyl)phosphoryl]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[hydroxy(phenyl)phosphoryl]-2-phenylpropanoic acid?
The canonical SMILES for 3-[hydroxy(phenyl)phosphoryl]-2-phenylpropanoic acid is O=C(O)C(CP(=O)(O)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[hydroxy(phenyl)phosphoryl]-2-phenylpropanoic acid?
The InChIKey is FNBYCCJZZSVSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15O4P/c16-15(17)14(12-7-3-1-4-8-12)11-20(18,19)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,16,17)(H,18,19).
What are the key properties of 3-[hydroxy(phenyl)phosphoryl]-2-phenylpropanoic acid?
3-[hydroxy(phenyl)phosphoryl]-2-phenylpropanoic acid has a molecular weight of 290.25 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy(phenyl)phosphoryl]-2-phenylpropanoic acid is sourced from PubChem (CID 18472890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).