2-fluorobenzene-1,4-diol;phosphoric acid

C6H8FO6P — CID 131985559

IUPAC2-fluorobenzene-1,4-diol;phosphoric acid
SMILESO=P(O)(O)O.Oc1ccc(O)c(F)c1
InChIInChI=1S/C6H5FO2.H3O4P/c7-5-3-4(8)1-2-6(5)9;1-5(2,3)4/h1-3,8-9H;(H3,1,2,3,4)
InChIKeyXDTVZQIHUHDKCB-UHFFFAOYSA-N
MW226.10 g/mol
LogP0.31
Rot. Bonds

About 2-fluorobenzene-1,4-diol;phosphoric acid

2-fluorobenzene-1,4-diol;phosphoric acid (PubChem CID 131985559) has the molecular formula C6H8FO6P and a molecular weight of 226.10 g/mol. Its IUPAC name is 2-fluorobenzene-1,4-diol;phosphoric acid.

Molecular Properties

Compound Name2-fluorobenzene-1,4-diol;phosphoric acid
PubChem CID131985559
Molecular FormulaC6H8FO6P
Molecular Weight226.10 g/mol
Exact Mass226.00
IUPAC Name2-fluorobenzene-1,4-diol;phosphoric acid
SMILESO=P(O)(O)O.Oc1ccc(O)c(F)c1
InChIInChI=1S/C6H5FO2.H3O4P/c7-5-3-4(8)1-2-6(5)9;1-5(2,3)4/h1-3,8-9H;(H3,1,2,3,4)
InChIKeyXDTVZQIHUHDKCB-UHFFFAOYSA-N
XLogP0.31
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.10
LogP ≤ 50.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-fluorobenzene-1,4-diol;phosphoric acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzene-1,4-diol;phosphoric acid
CID 87092335
benzene-1,3-diol;phosphoric acid
CID 87069465
benzene-1,3-diol;phosphoric acid
CID 66603395
2-fluoro-4-(3-fluoro-4-hydroxyphenyl)phenol
CID 520956
2,5-difluoro-4-(2-fluoro-4-hydroxyphenyl)phenol
CID 118286159
4-(2-fluoro-4-hydroxyphenyl)benzene-1,2,3-triol
CID 175418181
sodium 3-fluoro-4-hydroxybenzenesulfinate
CID 165453734
4-amino-2-fluorophenol;carbon dioxide
CID 160625037
3-fluoro-4-hydroxybenzenesulfinic acid
CID 143950951
5-chloro-N-(2-fluoro-4-hydroxyphenyl)-2-hydroxybenzamide
CID 64793866
3-(2-fluoro-4-hydroxyphenyl)prop-2-enoic acid
CID 53401635
(3-fluoro-4-hydroxyphenyl)-(4-fluorophenyl)-(4-hydroxyphenyl)sulfanium
CID 170529005

Frequently Asked Questions

What is the IUPAC name of 2-fluorobenzene-1,4-diol;phosphoric acid?
The IUPAC name of 2-fluorobenzene-1,4-diol;phosphoric acid (CID 131985559) is 2-fluorobenzene-1,4-diol;phosphoric acid.
What is the SMILES notation for 2-fluorobenzene-1,4-diol;phosphoric acid?
The canonical SMILES for 2-fluorobenzene-1,4-diol;phosphoric acid is O=P(O)(O)O.Oc1ccc(O)c(F)c1.
What is the InChIKey of 2-fluorobenzene-1,4-diol;phosphoric acid?
The InChIKey is XDTVZQIHUHDKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FO2.H3O4P/c7-5-3-4(8)1-2-6(5)9;1-5(2,3)4/h1-3,8-9H;(H3,1,2,3,4).
What are the key properties of 2-fluorobenzene-1,4-diol;phosphoric acid?
2-fluorobenzene-1,4-diol;phosphoric acid has a molecular weight of 226.10 g/mol, XLogP of 0.31, 0 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorobenzene-1,4-diol;phosphoric acid is sourced from PubChem (CID 131985559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).