[hydroxy(2-phenylethyl)phosphoryl]formic acid

C9H11O4P — CID 69405500

IUPAC[hydroxy(2-phenylethyl)phosphoryl]formic acid
SMILESO=C(O)P(=O)(O)CCc1ccccc1
InChIInChI=1S/C9H11O4P/c10-9(11)14(12,13)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)(H,12,13)
InChIKeyBKEBUVXQMWVKID-UHFFFAOYSA-N
MW214.16 g/mol
LogP2.18
Rot. Bonds4

About [hydroxy(2-phenylethyl)phosphoryl]formic acid

[hydroxy(2-phenylethyl)phosphoryl]formic acid (PubChem CID 69405500) has the molecular formula C9H11O4P and a molecular weight of 214.16 g/mol. Its IUPAC name is [hydroxy(2-phenylethyl)phosphoryl]formic acid.

Molecular Properties

Compound Name[hydroxy(2-phenylethyl)phosphoryl]formic acid
PubChem CID69405500
Molecular FormulaC9H11O4P
Molecular Weight214.16 g/mol
Exact Mass214.04
IUPAC Name[hydroxy(2-phenylethyl)phosphoryl]formic acid
SMILESO=C(O)P(=O)(O)CCc1ccccc1
InChIInChI=1S/C9H11O4P/c10-9(11)14(12,13)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)(H,12,13)
InChIKeyBKEBUVXQMWVKID-UHFFFAOYSA-N
XLogP2.18
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.16
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [hydroxy(2-phenylethyl)phosphoryl]formic 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

2-bromoethyl(2-phenylethyl)phosphinic acid
CID 11087049
2-aminoethyl(2-phenylethyl)phosphinic acid
CID 949642
2-dichlorophosphorylethylbenzene
CID 15169214
2-phenylethyl(phenylmethoxy)phosphinic acid
CID 54325821
phosphono 3-phenylpropanoate
CID 57243225
3-[hydroxy(2-phenylethyl)phosphoryl]-2-methylpropanoic acid
CID 46213969
2-phenylethylbenzene;phosphono dihydrogen phosphate
CID 174463104
3-aminopropyl(2-phenylethyl)phosphinic acid;hydrochloride
CID 6602756
[(E)-2-phenylethenyl]-(2-phenylethyl)phosphinic acid
CID 67362015
butyl(2-phenylethyl)phosphinic acid;iron
CID 159791741
[(1S)-1-hydroxy-2-methylpropyl]-(2-phenylethyl)phosphinic acid
CID 949317
benzylbenzene;phosphoric acid
CID 161249494

Frequently Asked Questions

What is the IUPAC name of [hydroxy(2-phenylethyl)phosphoryl]formic acid?
The IUPAC name of [hydroxy(2-phenylethyl)phosphoryl]formic acid (CID 69405500) is [hydroxy(2-phenylethyl)phosphoryl]formic acid.
What is the SMILES notation for [hydroxy(2-phenylethyl)phosphoryl]formic acid?
The canonical SMILES for [hydroxy(2-phenylethyl)phosphoryl]formic acid is O=C(O)P(=O)(O)CCc1ccccc1.
What is the InChIKey of [hydroxy(2-phenylethyl)phosphoryl]formic acid?
The InChIKey is BKEBUVXQMWVKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O4P/c10-9(11)14(12,13)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)(H,12,13).
What are the key properties of [hydroxy(2-phenylethyl)phosphoryl]formic acid?
[hydroxy(2-phenylethyl)phosphoryl]formic acid has a molecular weight of 214.16 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy(2-phenylethyl)phosphoryl]formic acid is sourced from PubChem (CID 69405500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).