2-(dihydroxyphosphanyloxymethyl)benzoic acid

C8H9O5P — CID 145267379

IUPAC2-(dihydroxyphosphanyloxymethyl)benzoic acid
SMILESO=C(O)c1ccccc1COP(O)O
InChIInChI=1S/C8H9O5P/c9-8(10)7-4-2-1-3-6(7)5-13-14(11)12/h1-4,11-12H,5H2,(H,9,10)
InChIKeyXLRVTUPJBMIWDO-UHFFFAOYSA-N
MW216.13 g/mol
LogP1.11
Rot. Bonds4

About 2-(dihydroxyphosphanyloxymethyl)benzoic acid

2-(dihydroxyphosphanyloxymethyl)benzoic acid (PubChem CID 145267379) has the molecular formula C8H9O5P and a molecular weight of 216.13 g/mol. Its IUPAC name is 2-(dihydroxyphosphanyloxymethyl)benzoic acid.

Molecular Properties

Compound Name2-(dihydroxyphosphanyloxymethyl)benzoic acid
PubChem CID145267379
Molecular FormulaC8H9O5P
Molecular Weight216.13 g/mol
Exact Mass216.02
IUPAC Name2-(dihydroxyphosphanyloxymethyl)benzoic acid
SMILESO=C(O)c1ccccc1COP(O)O
InChIInChI=1S/C8H9O5P/c9-8(10)7-4-2-1-3-6(7)5-13-14(11)12/h1-4,11-12H,5H2,(H,9,10)
InChIKeyXLRVTUPJBMIWDO-UHFFFAOYSA-N
XLogP1.11
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.13
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[bis[(2-methylpropan-2-yl)oxy]phosphanyloxymethyl]benzoic acid
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2-[(2-ethylphenoxy)methyl]benzoic acid
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2-(2-oxobutyl)benzoic acid
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2-(cyclopentyloxymethyl)benzoic acid
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CID 87883504
2-(naphthalen-1-yloxymethyl)benzoic acid
CID 43473128
2-[[4-(carboxymethyl)phenoxy]methyl]benzoic acid;methane
CID 21269133
2-[(thiophen-3-ylamino)methyl]benzoic acid
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2-[(2-methoxycarbonylphenoxy)methyl]benzoic acid
CID 70197769

Frequently Asked Questions

What is the IUPAC name of 2-(dihydroxyphosphanyloxymethyl)benzoic acid?
The IUPAC name of 2-(dihydroxyphosphanyloxymethyl)benzoic acid (CID 145267379) is 2-(dihydroxyphosphanyloxymethyl)benzoic acid.
What is the SMILES notation for 2-(dihydroxyphosphanyloxymethyl)benzoic acid?
The canonical SMILES for 2-(dihydroxyphosphanyloxymethyl)benzoic acid is O=C(O)c1ccccc1COP(O)O.
What is the InChIKey of 2-(dihydroxyphosphanyloxymethyl)benzoic acid?
The InChIKey is XLRVTUPJBMIWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9O5P/c9-8(10)7-4-2-1-3-6(7)5-13-14(11)12/h1-4,11-12H,5H2,(H,9,10).
What are the key properties of 2-(dihydroxyphosphanyloxymethyl)benzoic acid?
2-(dihydroxyphosphanyloxymethyl)benzoic acid has a molecular weight of 216.13 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dihydroxyphosphanyloxymethyl)benzoic acid is sourced from PubChem (CID 145267379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).