3-[2-(3-hydroxyphenyl)ethenyl]benzene-1,2,4-triol

C14H12O4 — CID 173498744

IUPAC3-[2-(3-hydroxyphenyl)ethenyl]benzene-1,2,4-triol
SMILESOc1cccc(C=Cc2c(O)ccc(O)c2O)c1
InChIInChI=1S/C14H12O4/c15-10-3-1-2-9(8-10)4-5-11-12(16)6-7-13(17)14(11)18/h1-8,15-18H
InChIKeyOMWOWIMBICQCHR-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.68
Rot. Bonds2

About 3-[2-(3-hydroxyphenyl)ethenyl]benzene-1,2,4-triol

3-[2-(3-hydroxyphenyl)ethenyl]benzene-1,2,4-triol (PubChem CID 173498744) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is 3-[2-(3-hydroxyphenyl)ethenyl]benzene-1,2,4-triol.

Molecular Properties

Compound Name3-[2-(3-hydroxyphenyl)ethenyl]benzene-1,2,4-triol
PubChem CID173498744
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Name3-[2-(3-hydroxyphenyl)ethenyl]benzene-1,2,4-triol
SMILESOc1cccc(C=Cc2c(O)ccc(O)c2O)c1
InChIInChI=1S/C14H12O4/c15-10-3-1-2-9(8-10)4-5-11-12(16)6-7-13(17)14(11)18/h1-8,15-18H
InChIKeyOMWOWIMBICQCHR-UHFFFAOYSA-N
XLogP2.68
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

4-[2-(3-hydroxyphenyl)ethenyl]benzene-1,3-diol
CID 54100227
3-(2-methoxyethenyl)phenol
CID 175460679
3-[(Z)-2-(3-hydroxyphenyl)ethenyl]phenol;3-[(E)-2-(3-methylphenyl)ethenyl]phenol
CID 159541553
3-[(E)-2-chloroethenyl]phenol
CID 131239528
3-[(E)-2-bromoethenyl]phenol
CID 74892827
3-[(E)-2-(4-fluorophenyl)ethenyl]phenol
CID 124660787
3-[(E)-2-(3-methoxyphenyl)ethenyl]phenol
CID 11401879
4-methyl-2-(2-phenylethenyl)benzene-1,3-diol
CID 135318520
3-[(Z)-2-pyridin-3-ylethenyl]phenol
CID 70505429
4-[(E)-2-(3-hydroxyphenyl)ethenyl]-5-methoxybenzene-1,2-diol
CID 155072350
3-[(E)-2-(4-methylsulfanylphenyl)ethenyl]phenol
CID 143844914
(E)-3-(3-hydroxyphenyl)prop-2-enenitrile
CID 14955604

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-hydroxyphenyl)ethenyl]benzene-1,2,4-triol?
The IUPAC name of 3-[2-(3-hydroxyphenyl)ethenyl]benzene-1,2,4-triol (CID 173498744) is 3-[2-(3-hydroxyphenyl)ethenyl]benzene-1,2,4-triol.
What is the SMILES notation for 3-[2-(3-hydroxyphenyl)ethenyl]benzene-1,2,4-triol?
The canonical SMILES for 3-[2-(3-hydroxyphenyl)ethenyl]benzene-1,2,4-triol is Oc1cccc(C=Cc2c(O)ccc(O)c2O)c1.
What is the InChIKey of 3-[2-(3-hydroxyphenyl)ethenyl]benzene-1,2,4-triol?
The InChIKey is OMWOWIMBICQCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c15-10-3-1-2-9(8-10)4-5-11-12(16)6-7-13(17)14(11)18/h1-8,15-18H.
What are the key properties of 3-[2-(3-hydroxyphenyl)ethenyl]benzene-1,2,4-triol?
3-[2-(3-hydroxyphenyl)ethenyl]benzene-1,2,4-triol has a molecular weight of 244.25 g/mol, XLogP of 2.68, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-hydroxyphenyl)ethenyl]benzene-1,2,4-triol is sourced from PubChem (CID 173498744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).