5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;phosphoric acid

C14H15O7P — CID 25189491

IUPAC5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;phosphoric acid
SMILESO=P(O)(O)O.Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1
InChIInChI=1S/C14H12O3.H3O4P/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11;1-5(2,3)4/h1-9,15-17H;(H3,1,2,3,4)/b2-1+;
InChIKeyANCSKBYZVKUEAP-TYYBGVCCSA-N
MW326.24 g/mol
LogP2.05
Rot. Bonds2

About 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;phosphoric acid

5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;phosphoric acid (PubChem CID 25189491) has the molecular formula C14H15O7P and a molecular weight of 326.24 g/mol. Its IUPAC name is 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;phosphoric acid.

Molecular Properties

Compound Name5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;phosphoric acid
PubChem CID25189491
Molecular FormulaC14H15O7P
Molecular Weight326.24 g/mol
Exact Mass326.06
IUPAC Name5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;phosphoric acid
SMILESO=P(O)(O)O.Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1
InChIInChI=1S/C14H12O3.H3O4P/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11;1-5(2,3)4/h1-9,15-17H;(H3,1,2,3,4)/b2-1+;
InChIKeyANCSKBYZVKUEAP-TYYBGVCCSA-N
XLogP2.05
TPSA138.45 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.24
LogP ≤ 52.05
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;methane
CID 74438837
3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methylphenol
CID 21024515
(1E,6E)-1-(3,5-dihydroxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
CID 68551560
5-[(Z)-2-(4-aminophenyl)ethenyl]benzene-1,3-diamine;5-[(Z)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
CID 163701124
5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;3-prop-2-enoxyprop-1-ene
CID 175297544
benzene-1,4-diol;phosphoric acid
CID 87092335
4-[2-(3,5-dihydroxyphenyl)ethenyl]benzenesulfonic acid
CID 173073405
ethyl acetate;5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
CID 175502826
ethane;3-fluoro-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol
CID 143083538
O-silyl resveratrol
CID 171364243
3-hydroxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzenesulfonoperoxoic acid
CID 155792905
4-[2-(4-hydroxyphenyl)ethenyl]benzene-1,2-diol
CID 54294164

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;phosphoric acid?
The IUPAC name of 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;phosphoric acid (CID 25189491) is 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;phosphoric acid.
What is the SMILES notation for 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;phosphoric acid?
The canonical SMILES for 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;phosphoric acid is O=P(O)(O)O.Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1.
What is the InChIKey of 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;phosphoric acid?
The InChIKey is ANCSKBYZVKUEAP-TYYBGVCCSA-N. The full InChI is InChI=1S/C14H12O3.H3O4P/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11;1-5(2,3)4/h1-9,15-17H;(H3,1,2,3,4)/b2-1+;.
What are the key properties of 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;phosphoric acid?
5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;phosphoric acid has a molecular weight of 326.24 g/mol, XLogP of 2.05, 2 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;phosphoric acid is sourced from PubChem (CID 25189491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).