2-[methoxy(phenyl)phosphoryl]acetic acid

C9H11O4P — CID 4116002

IUPAC2-[methoxy(phenyl)phosphoryl]acetic acid
SMILESCOP(=O)(CC(=O)O)c1ccccc1
InChIInChI=1S/C9H11O4P/c1-13-14(12,7-9(10)11)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,10,11)
InChIKeyWOMCCRPWMVUWIN-UHFFFAOYSA-N
MW214.16 g/mol
LogP1.32
Rot. Bonds4

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

2-[methoxy(phenyl)phosphoryl]acetic acid (PubChem CID 4116002) has the molecular formula C9H11O4P and a molecular weight of 214.16 g/mol. Its IUPAC name is 2-[methoxy(phenyl)phosphoryl]acetic acid.

Molecular Properties

Compound Name2-[methoxy(phenyl)phosphoryl]acetic acid
PubChem CID4116002
Molecular FormulaC9H11O4P
Molecular Weight214.16 g/mol
Exact Mass214.04
IUPAC Name2-[methoxy(phenyl)phosphoryl]acetic acid
SMILESCOP(=O)(CC(=O)O)c1ccccc1
InChIInChI=1S/C9H11O4P/c1-13-14(12,7-9(10)11)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,10,11)
InChIKeyWOMCCRPWMVUWIN-UHFFFAOYSA-N
XLogP1.32
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.16
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[methoxy(phenyl)phosphoryl]acetic acid?
The IUPAC name of 2-[methoxy(phenyl)phosphoryl]acetic acid (CID 4116002) is 2-[methoxy(phenyl)phosphoryl]acetic acid.
What is the SMILES notation for 2-[methoxy(phenyl)phosphoryl]acetic acid?
The canonical SMILES for 2-[methoxy(phenyl)phosphoryl]acetic acid is COP(=O)(CC(=O)O)c1ccccc1.
What is the InChIKey of 2-[methoxy(phenyl)phosphoryl]acetic acid?
The InChIKey is WOMCCRPWMVUWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O4P/c1-13-14(12,7-9(10)11)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,10,11).
What are the key properties of 2-[methoxy(phenyl)phosphoryl]acetic acid?
2-[methoxy(phenyl)phosphoryl]acetic acid has a molecular weight of 214.16 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methoxy(phenyl)phosphoryl]acetic acid is sourced from PubChem (CID 4116002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).