benzene-1,3-diol;phosphoric acid

C6H12O10P2 — CID 87069465

IUPACbenzene-1,3-diol;phosphoric acid
SMILESO=P(O)(O)O.O=P(O)(O)O.Oc1cccc(O)c1
InChIInChI=1S/C6H6O2.2H3O4P/c7-5-2-1-3-6(8)4-5;2*1-5(2,3)4/h1-4,7-8H;2*(H3,1,2,3,4)
InChIKeyUOYVDHYHTPDWJD-UHFFFAOYSA-N
MW306.10 g/mol
LogP-0.76
Rot. Bonds

About benzene-1,3-diol;phosphoric acid

benzene-1,3-diol;phosphoric acid (PubChem CID 87069465) has the molecular formula C6H12O10P2 and a molecular weight of 306.10 g/mol. Its IUPAC name is benzene-1,3-diol;phosphoric acid.

Molecular Properties

Compound Namebenzene-1,3-diol;phosphoric acid
PubChem CID87069465
Molecular FormulaC6H12O10P2
Molecular Weight306.10 g/mol
Exact Mass305.99
IUPAC Namebenzene-1,3-diol;phosphoric acid
SMILESO=P(O)(O)O.O=P(O)(O)O.Oc1cccc(O)c1
InChIInChI=1S/C6H6O2.2H3O4P/c7-5-2-1-3-6(8)4-5;2*1-5(2,3)4/h1-4,7-8H;2*(H3,1,2,3,4)
InChIKeyUOYVDHYHTPDWJD-UHFFFAOYSA-N
XLogP-0.76
TPSA195.98 Ų
H-Bond Donors8
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.10
LogP ≤ 5-0.76
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Resorcinol
CID 5054
Phloroglucinol
CID 359
1,3,5-Benzenetriol, hydrate (1:2)
CID 53233771
Phloroglucinol dihydrate
CID 80196
(4-Hydroxyphenyl)phosphonic acid
CID 214694
Phosphoric acid, 3-hydroxyphenyl diphenyl ester
CID 10925911
Benzene 1,2,4-trisphosphate
CID 192376
Resorcinol sulfate
CID 20573881
Phosphonic acid, (m-hydroxyphenyl)-
CID 214691
4-Fluoro-1,3-dihydroxybenzene
CID 10558640
2-Fluororesorcinol
CID 10678246
5-Fluororesorcinol
CID 12658778

Frequently Asked Questions

What is the IUPAC name of benzene-1,3-diol;phosphoric acid?
The IUPAC name of benzene-1,3-diol;phosphoric acid (CID 87069465) is benzene-1,3-diol;phosphoric acid.
What is the SMILES notation for benzene-1,3-diol;phosphoric acid?
The canonical SMILES for benzene-1,3-diol;phosphoric acid is O=P(O)(O)O.O=P(O)(O)O.Oc1cccc(O)c1.
What is the InChIKey of benzene-1,3-diol;phosphoric acid?
The InChIKey is UOYVDHYHTPDWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2.2H3O4P/c7-5-2-1-3-6(8)4-5;2*1-5(2,3)4/h1-4,7-8H;2*(H3,1,2,3,4).
What are the key properties of benzene-1,3-diol;phosphoric acid?
benzene-1,3-diol;phosphoric acid has a molecular weight of 306.10 g/mol, XLogP of -0.76, 0 rotatable bonds, 8 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,3-diol;phosphoric acid is sourced from PubChem (CID 87069465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).