5-[(E)-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethenyl]benzene-1,3-diol

C15H14O4 — CID 121295383

IUPAC5-[(E)-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethenyl]benzene-1,3-diol
SMILESOCc1cc(/C=C/c2cc(O)cc(O)c2)ccc1O
InChIInChI=1S/C15H14O4/c16-9-12-5-10(3-4-15(12)19)1-2-11-6-13(17)8-14(18)7-11/h1-8,16-19H,9H2/b2-1+
InChIKeyITYLAHLYQJHPNJ-OWOJBTEDSA-N
MW258.27 g/mol
LogP2.47
Rot. Bonds3

About 5-[(E)-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethenyl]benzene-1,3-diol

5-[(E)-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethenyl]benzene-1,3-diol (PubChem CID 121295383) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 5-[(E)-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethenyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[(E)-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethenyl]benzene-1,3-diol
PubChem CID121295383
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name5-[(E)-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethenyl]benzene-1,3-diol
SMILESOCc1cc(/C=C/c2cc(O)cc(O)c2)ccc1O
InChIInChI=1S/C15H14O4/c16-9-12-5-10(3-4-15(12)19)1-2-11-6-13(17)8-14(18)7-11/h1-8,16-19H,9H2/b2-1+
InChIKeyITYLAHLYQJHPNJ-OWOJBTEDSA-N
XLogP2.47
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(hydroxymethyl)-4-[2-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]ethenyl]phenol
CID 123931349
5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzaldehyde
CID 139586286
2-(hydroxymethyl)-4-[(E)-methoxyiminomethyl]phenol
CID 137263283
(3Z,5E)-1,4-dihydroxy-6-[4-hydroxy-3-(hydroxymethyl)phenyl]hexa-3,5-dien-2-one
CID 130295541
5-[2-(4-hydroxy-3-pyridin-4-ylphenyl)ethenyl]benzene-1,3-diol
CID 169095439
5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;methane
CID 74438837
[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxyphenyl] acetate
CID 122603285
5-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]benzene-1,3-diol
CID 44516242
benzyl N-[3-[4-hydroxy-3-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471444
3-[4-hydroxy-3-(hydroxymethyl)phenyl]-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
CID 76788614
5-[(E)-2-(4-tert-butyl-3-hydroxyphenyl)ethenyl]benzene-1,3-diol
CID 162699386
5-[(E)-2-[4-(sulfanylmethyl)phenyl]ethenyl]benzene-1,3-diol
CID 87118922

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethenyl]benzene-1,3-diol?
The IUPAC name of 5-[(E)-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethenyl]benzene-1,3-diol (CID 121295383) is 5-[(E)-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethenyl]benzene-1,3-diol.
What is the SMILES notation for 5-[(E)-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethenyl]benzene-1,3-diol?
The canonical SMILES for 5-[(E)-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethenyl]benzene-1,3-diol is OCc1cc(/C=C/c2cc(O)cc(O)c2)ccc1O.
What is the InChIKey of 5-[(E)-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethenyl]benzene-1,3-diol?
The InChIKey is ITYLAHLYQJHPNJ-OWOJBTEDSA-N. The full InChI is InChI=1S/C15H14O4/c16-9-12-5-10(3-4-15(12)19)1-2-11-6-13(17)8-14(18)7-11/h1-8,16-19H,9H2/b2-1+.
What are the key properties of 5-[(E)-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethenyl]benzene-1,3-diol?
5-[(E)-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethenyl]benzene-1,3-diol has a molecular weight of 258.27 g/mol, XLogP of 2.47, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethenyl]benzene-1,3-diol is sourced from PubChem (CID 121295383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).