5-[2-(2,4,5-trihydroxyphenyl)ethenyl]benzene-1,2,4-triol

C14H12O6 — CID 71406984

IUPAC5-[2-(2,4,5-trihydroxyphenyl)ethenyl]benzene-1,2,4-triol
SMILESOc1cc(O)c(C=Cc2cc(O)c(O)cc2O)cc1O
InChIInChI=1S/C14H12O6/c15-9-5-13(19)11(17)3-7(9)1-2-8-4-12(18)14(20)6-10(8)16/h1-6,15-20H
InChIKeyBADUNABXPNCENN-UHFFFAOYSA-N
MW276.24 g/mol
LogP2.09
Rot. Bonds2

About 5-[2-(2,4,5-trihydroxyphenyl)ethenyl]benzene-1,2,4-triol

5-[2-(2,4,5-trihydroxyphenyl)ethenyl]benzene-1,2,4-triol (PubChem CID 71406984) has the molecular formula C14H12O6 and a molecular weight of 276.24 g/mol. Its IUPAC name is 5-[2-(2,4,5-trihydroxyphenyl)ethenyl]benzene-1,2,4-triol.

Molecular Properties

Compound Name5-[2-(2,4,5-trihydroxyphenyl)ethenyl]benzene-1,2,4-triol
PubChem CID71406984
Molecular FormulaC14H12O6
Molecular Weight276.24 g/mol
Exact Mass276.06
IUPAC Name5-[2-(2,4,5-trihydroxyphenyl)ethenyl]benzene-1,2,4-triol
SMILESOc1cc(O)c(C=Cc2cc(O)c(O)cc2O)cc1O
InChIInChI=1S/C14H12O6/c15-9-5-13(19)11(17)3-7(9)1-2-8-4-12(18)14(20)6-10(8)16/h1-6,15-20H
InChIKeyBADUNABXPNCENN-UHFFFAOYSA-N
XLogP2.09
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.24
LogP ≤ 52.09
H-Bond Donors ≤ 56
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': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(E)-1-phenyl-3-(2,4,5-trihydroxyphenyl)prop-2-en-1-one
CID 146448432
4-bromo-2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]phenol
CID 23471173
1-[8-hydroxy-2-[(E)-2-(2,4,5-trihydroxyphenyl)ethenyl]quinolin-7-yl]ethanone
CID 135859880
(1R)-1-methyl-4-[2-(2,4,5-trihydroxyphenyl)ethenyl]-1H-furo[3,4-c]pyran-3,6-dione
CID 156582952
2,5-bis[(1,3-dihydroxy-2-methylpropan-2-yl)iminomethyl]benzene-1,4-diol
CID 136746748
4-[2-(2-hydroxyphenyl)ethenyl]benzene-1,2-diol
CID 54133293
2-(3-bromoprop-1-enyl)-4,5-difluorophenol
CID 169475416
CID 88586830
CID 88586830
3-(2,4-dihydroxy-5-methoxyphenyl)prop-2-enoic acid
CID 25201765
4-(3-sulfanylprop-1-enyl)benzene-1,3-diol
CID 169454721
(E)-3-(4,5-dichloro-2-hydroxyphenyl)prop-2-enoic acid
CID 118829196
2-(2-phenylethenyl)benzene-1,4-diol
CID 54196246

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,4,5-trihydroxyphenyl)ethenyl]benzene-1,2,4-triol?
The IUPAC name of 5-[2-(2,4,5-trihydroxyphenyl)ethenyl]benzene-1,2,4-triol (CID 71406984) is 5-[2-(2,4,5-trihydroxyphenyl)ethenyl]benzene-1,2,4-triol.
What is the SMILES notation for 5-[2-(2,4,5-trihydroxyphenyl)ethenyl]benzene-1,2,4-triol?
The canonical SMILES for 5-[2-(2,4,5-trihydroxyphenyl)ethenyl]benzene-1,2,4-triol is Oc1cc(O)c(C=Cc2cc(O)c(O)cc2O)cc1O.
What is the InChIKey of 5-[2-(2,4,5-trihydroxyphenyl)ethenyl]benzene-1,2,4-triol?
The InChIKey is BADUNABXPNCENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O6/c15-9-5-13(19)11(17)3-7(9)1-2-8-4-12(18)14(20)6-10(8)16/h1-6,15-20H.
What are the key properties of 5-[2-(2,4,5-trihydroxyphenyl)ethenyl]benzene-1,2,4-triol?
5-[2-(2,4,5-trihydroxyphenyl)ethenyl]benzene-1,2,4-triol has a molecular weight of 276.24 g/mol, XLogP of 2.09, 2 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,4,5-trihydroxyphenyl)ethenyl]benzene-1,2,4-triol is sourced from PubChem (CID 71406984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).