Benzoyloxy(2-hydroxyethyl)phosphinic acid

Name: Benzoyloxy(2-hydroxyethyl)phosphinic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₉H₁₁O₅P — CID 175518469

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACbenzoyloxy(2-hydroxyethyl)phosphinic acid

SMILESO=C(OP(=O)(O)CCO)c1ccccc1

InChIInChI=1S/C9H11O5P/c10-6-7-15(12,13)14-9(11)8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,12,13)

InChIKeyNEHGRHBYCHKXNC-UHFFFAOYSA-N

MW230.16 g/mol

LogP1.02

Rot. Bonds4

About Benzoyloxy(2-hydroxyethyl)phosphinic acid

Benzoyloxy(2-hydroxyethyl)phosphinic acid (PubChem CID 175518469) has the molecular formula C₉H₁₁O₅P and a molecular weight of 230.16 g/mol. Its IUPAC name is benzoyloxy(2-hydroxyethyl)phosphinic acid.

Molecular Properties

Compound Name	Benzoyloxy(2-hydroxyethyl)phosphinic acid
PubChem CID	175518469
Molecular Formula	C₉H₁₁O₅P
Molecular Weight	230.16 g/mol
Exact Mass	230.03
IUPAC Name	benzoyloxy(2-hydroxyethyl)phosphinic acid
SMILES	O=C(OP(=O)(O)CCO)c1ccccc1
InChI	InChI=1S/C9H11O5P/c10-6-7-15(12,13)14-9(11)8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,12,13)
InChIKey	NEHGRHBYCHKXNC-UHFFFAOYSA-N
XLogP	1.02
TPSA	83.83 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	15
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	230.16
LogP ≤ 5	1.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Benzoyloxy(2-hydroxyethyl)phosphinic acid?

The IUPAC name of Benzoyloxy(2-hydroxyethyl)phosphinic acid (CID 175518469) is benzoyloxy(2-hydroxyethyl)phosphinic acid.

What is the SMILES notation for Benzoyloxy(2-hydroxyethyl)phosphinic acid?

The canonical SMILES for Benzoyloxy(2-hydroxyethyl)phosphinic acid is O=C(OP(=O)(O)CCO)c1ccccc1.

What is the InChIKey of Benzoyloxy(2-hydroxyethyl)phosphinic acid?

The InChIKey is NEHGRHBYCHKXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O5P/c10-6-7-15(12,13)14-9(11)8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,12,13).

What are the key properties of Benzoyloxy(2-hydroxyethyl)phosphinic acid?

Benzoyloxy(2-hydroxyethyl)phosphinic acid has a molecular weight of 230.16 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Benzoyloxy(2-hydroxyethyl)phosphinic acid is sourced from PubChem (CID 175518469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 175518469 — identifiers, structure, computed properties (public domain)

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