2-hydroxy-3-phosphanyloxybenzoic acid

C7H7O4P — CID 58402798

IUPAC2-hydroxy-3-phosphanyloxybenzoic acid
SMILESO=C(O)c1cccc(OP)c1O
InChIInChI=1S/C7H7O4P/c8-6-4(7(9)10)2-1-3-5(6)11-12/h1-3,8H,12H2,(H,9,10)
InChIKeyFNQWVJQYVBKQCL-UHFFFAOYSA-N
MW186.10 g/mol
LogP1.26
Rot. Bonds2

About 2-hydroxy-3-phosphanyloxybenzoic acid

2-hydroxy-3-phosphanyloxybenzoic acid (PubChem CID 58402798) has the molecular formula C7H7O4P and a molecular weight of 186.10 g/mol. Its IUPAC name is 2-hydroxy-3-phosphanyloxybenzoic acid.

Molecular Properties

Compound Name2-hydroxy-3-phosphanyloxybenzoic acid
PubChem CID58402798
Molecular FormulaC7H7O4P
Molecular Weight186.10 g/mol
Exact Mass186.01
IUPAC Name2-hydroxy-3-phosphanyloxybenzoic acid
SMILESO=C(O)c1cccc(OP)c1O
InChIInChI=1S/C7H7O4P/c8-6-4(7(9)10)2-1-3-5(6)11-12/h1-3,8H,12H2,(H,9,10)
InChIKeyFNQWVJQYVBKQCL-UHFFFAOYSA-N
XLogP1.26
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.10
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-2-hydroxybenzoic acid
CID 13026922
2-hydroxybenzene-1,3-dicarboxylic acid;methane
CID 174853771
nitrous acid;2-phosphanyloxybenzoic acid
CID 174720888
2-hydroxy-3-triacontoxybenzoic acid
CID 70421879
CID 70118129
CID 70118129
3-bromo-2-hydroxybenzoic acid
CID 520927
hydrogen peroxide;2-hydroxy-3-methylbenzoic acid
CID 161037568
3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-hydroxybenzoic acid
CID 142634334
carbonic acid;bis(2-hydroxy-3-methylbenzoic acid)
CID 66629599
(3-carboxy-2-hydroxyphenyl)azanium chloride
CID 84820764
2-hydroxy-3-prop-1-en-2-ylbenzoic acid
CID 11423898
2-hydroxy-3-[2-(2-methoxyphenyl)acetyl]benzoic acid
CID 150707382

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-phosphanyloxybenzoic acid?
The IUPAC name of 2-hydroxy-3-phosphanyloxybenzoic acid (CID 58402798) is 2-hydroxy-3-phosphanyloxybenzoic acid.
What is the SMILES notation for 2-hydroxy-3-phosphanyloxybenzoic acid?
The canonical SMILES for 2-hydroxy-3-phosphanyloxybenzoic acid is O=C(O)c1cccc(OP)c1O.
What is the InChIKey of 2-hydroxy-3-phosphanyloxybenzoic acid?
The InChIKey is FNQWVJQYVBKQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7O4P/c8-6-4(7(9)10)2-1-3-5(6)11-12/h1-3,8H,12H2,(H,9,10).
What are the key properties of 2-hydroxy-3-phosphanyloxybenzoic acid?
2-hydroxy-3-phosphanyloxybenzoic acid has a molecular weight of 186.10 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-phosphanyloxybenzoic acid is sourced from PubChem (CID 58402798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).