benzoyloxy(2-hydroxyethyl)phosphinic acid

C9H11O5P — CID 175518469

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 Namebenzoyloxy(2-hydroxyethyl)phosphinic acid
PubChem CID175518469
Molecular FormulaC9H11O5P
Molecular Weight230.16 g/mol
Exact Mass230.03
IUPAC Namebenzoyloxy(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
XLogP1.02
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.16
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azane;phosphono benzoate
CID 174881549
potassium hydroxymethyl benzoate
CID 22993318
benzoyl phenyl phosphate
CID 21138904
disodium;benzoyloxy-[[benzoyloxy(oxido)phosphoryl]-dichloromethyl]phosphinate
CID 10458523
benzyl-(4-butoxybenzoyl)oxyphosphinic acid
CID 139959869
CID 19766641
CID 19766641
benzoyl benzenecarboperoxoate;hydron
CID 20524010
argon;benzoyl benzenecarboperoxoate
CID 161437596
4-[4-benzoyloxybutoxy(hydroxy)phosphoryl]oxybutyl benzoate
CID 139925277
2-dimethoxyphosphorylethyl benzoate
CID 174516392
(4-benzoyloxy-2,3-dihydroxybutyl) benzoate
CID 569984
benzyl-(4-nonoxybenzoyl)oxyphosphinic acid
CID 139959872

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).