5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzaldehyde

C15H12O4 — CID 139586286

IUPAC5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzaldehyde
SMILESO=Cc1cc(/C=C/c2cc(O)cc(O)c2)ccc1O
InChIInChI=1S/C15H12O4/c16-9-12-5-10(3-4-15(12)19)1-2-11-6-13(17)8-14(18)7-11/h1-9,17-19H/b2-1+
InChIKeyWTQVAZILUGEBFG-OWOJBTEDSA-N
MW256.26 g/mol
LogP2.79
Rot. Bonds3

About 5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzaldehyde

5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzaldehyde (PubChem CID 139586286) has the molecular formula C15H12O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzaldehyde
PubChem CID139586286
Molecular FormulaC15H12O4
Molecular Weight256.26 g/mol
Exact Mass256.07
IUPAC Name5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzaldehyde
SMILESO=Cc1cc(/C=C/c2cc(O)cc(O)c2)ccc1O
InChIInChI=1S/C15H12O4/c16-9-12-5-10(3-4-15(12)19)1-2-11-6-13(17)8-14(18)7-11/h1-9,17-19H/b2-1+
InChIKeyWTQVAZILUGEBFG-OWOJBTEDSA-N
XLogP2.79
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzaldehyde
CID 15189859
5-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-2-hydroxybenzaldehyde
CID 122476274
2-hydroxy-5-(4-oxobut-1-enyl)benzaldehyde
CID 170481700
(E)-3-(3-formyl-4-hydroxyphenyl)prop-2-enamide
CID 59104271
ethyl (E)-3-(3-formyl-4-hydroxyphenyl)prop-2-enoate
CID 10775274
5-[(E)-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethenyl]benzene-1,3-diol
CID 121295383
5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;methane
CID 74438837
2-hydroxy-5-[(1E,6E)-7-(4-hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dienyl]benzaldehyde
CID 21338011
3,5-dihydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 169438397
5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;phosphoric acid
CID 25189491
[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxyphenyl] acetate
CID 122603285
5-[2-(4-hydroxy-3-pyridin-4-ylphenyl)ethenyl]benzene-1,3-diol
CID 169095439

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzaldehyde?
The IUPAC name of 5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzaldehyde (CID 139586286) is 5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzaldehyde.
What is the SMILES notation for 5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzaldehyde?
The canonical SMILES for 5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzaldehyde is O=Cc1cc(/C=C/c2cc(O)cc(O)c2)ccc1O.
What is the InChIKey of 5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzaldehyde?
The InChIKey is WTQVAZILUGEBFG-OWOJBTEDSA-N. The full InChI is InChI=1S/C15H12O4/c16-9-12-5-10(3-4-15(12)19)1-2-11-6-13(17)8-14(18)7-11/h1-9,17-19H/b2-1+.
What are the key properties of 5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzaldehyde?
5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzaldehyde has a molecular weight of 256.26 g/mol, XLogP of 2.79, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzaldehyde is sourced from PubChem (CID 139586286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).