(2,3-dihydroxyphenyl) phenyl phosphate

C12H10O6P- — CID 22456918

IUPAC(2,3-dihydroxyphenyl) phenyl phosphate
SMILESO=P([O-])(Oc1ccccc1)Oc1cccc(O)c1O
InChIInChI=1S/C12H11O6P/c13-10-7-4-8-11(12(10)14)18-19(15,16)17-9-5-2-1-3-6-9/h1-8,13-14H,(H,15,16)/p-1
InChIKeyQDVBGFAKNUPXAG-UHFFFAOYSA-M
MW281.18 g/mol
LogP2.02
Rot. Bonds4

About (2,3-dihydroxyphenyl) phenyl phosphate

(2,3-dihydroxyphenyl) phenyl phosphate (PubChem CID 22456918) has the molecular formula C12H10O6P- and a molecular weight of 281.18 g/mol. Its IUPAC name is (2,3-dihydroxyphenyl) phenyl phosphate.

Molecular Properties

Compound Name(2,3-dihydroxyphenyl) phenyl phosphate
PubChem CID22456918
Molecular FormulaC12H10O6P-
Molecular Weight281.18 g/mol
Exact Mass281.02
IUPAC Name(2,3-dihydroxyphenyl) phenyl phosphate
SMILESO=P([O-])(Oc1ccccc1)Oc1cccc(O)c1O
InChIInChI=1S/C12H11O6P/c13-10-7-4-8-11(12(10)14)18-19(15,16)17-9-5-2-1-3-6-9/h1-8,13-14H,(H,15,16)/p-1
InChIKeyQDVBGFAKNUPXAG-UHFFFAOYSA-M
XLogP2.02
TPSA99.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.18
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

potassium diphenyl phosphate
CID 23671717
cesium diphenyl phosphate
CID 23664598
(2,3-dimethylphenyl) phenyl phosphate
CID 21201140
phenyl (2-phenylphenyl) phosphate
CID 22709121
tris(2,3-dihydroxyphenyl) phosphate
CID 141021157
(4-chlorophenyl) phenyl phosphate
CID 71363636
(2-butylphenyl) phenyl phosphate
CID 18924623
disodium;phenyl phosphate
CID 2724225
tetrasodium phenyl phosphate
CID 172856118
cesium phenyl hydrogen phosphate
CID 175568082
benzoyl phenyl phosphate
CID 21138904
azanium (4-nitrophenyl) phenyl phosphate
CID 132649079

Frequently Asked Questions

What is the IUPAC name of (2,3-dihydroxyphenyl) phenyl phosphate?
The IUPAC name of (2,3-dihydroxyphenyl) phenyl phosphate (CID 22456918) is (2,3-dihydroxyphenyl) phenyl phosphate.
What is the SMILES notation for (2,3-dihydroxyphenyl) phenyl phosphate?
The canonical SMILES for (2,3-dihydroxyphenyl) phenyl phosphate is O=P([O-])(Oc1ccccc1)Oc1cccc(O)c1O.
What is the InChIKey of (2,3-dihydroxyphenyl) phenyl phosphate?
The InChIKey is QDVBGFAKNUPXAG-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H11O6P/c13-10-7-4-8-11(12(10)14)18-19(15,16)17-9-5-2-1-3-6-9/h1-8,13-14H,(H,15,16)/p-1.
What are the key properties of (2,3-dihydroxyphenyl) phenyl phosphate?
(2,3-dihydroxyphenyl) phenyl phosphate has a molecular weight of 281.18 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dihydroxyphenyl) phenyl phosphate is sourced from PubChem (CID 22456918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).