5-[2-(2,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzoic acid

C15H12O5 — CID 1347

IUPAC5-[2-(2,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(C=Cc2cc(O)ccc2O)ccc1O
InChIInChI=1S/C15H12O5/c16-11-4-6-13(17)10(8-11)3-1-9-2-5-14(18)12(7-9)15(19)20/h1-8,16-18H,(H,19,20)
InChIKeyAYPFKZQQTSLEJG-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.67
Rot. Bonds3

About 5-[2-(2,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzoic acid

5-[2-(2,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzoic acid (PubChem CID 1347) has the molecular formula C15H12O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is 5-[2-(2,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[2-(2,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzoic acid
PubChem CID1347
Molecular FormulaC15H12O5
Molecular Weight272.26 g/mol
Exact Mass272.07
IUPAC Name5-[2-(2,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(C=Cc2cc(O)ccc2O)ccc1O
InChIInChI=1S/C15H12O5/c16-11-4-6-13(17)10(8-11)3-1-9-2-5-14(18)12(7-9)15(19)20/h1-8,16-18H,(H,19,20)
InChIKeyAYPFKZQQTSLEJG-UHFFFAOYSA-N
XLogP2.67
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[2-[2-(3-carboxy-4-hydroxyphenyl)ethenyl]phenyl]ethenyl]-2-hydroxybenzoic acid
CID 54231084
5-[2-[4-[2-(3-carboxy-4-hydroxyphenyl)ethenyl]naphthalen-1-yl]ethenyl]-2-hydroxybenzoic acid
CID 54009413
2-(2-phenylethenyl)benzene-1,4-diol
CID 54196246
2,5-dihydroxybenzoic acid;dihydrate
CID 140769659
5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-hydroxybenzoic acid
CID 59595410
2,5-dihydroxybenzoic acid;methanol
CID 174970806
strontium;2,5-dihydroxybenzoic acid;hydride
CID 173389066
5-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-hydroxybenzoic acid
CID 18991498
methyl 4-[(E)-2-(2,5-dihydroxyphenyl)ethenyl]benzoate
CID 5468975
2-hydroxy-5-(3-methoxy-3-oxoprop-1-enyl)benzoic acid
CID 66771929
2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]benzoic acid
CID 10061771
2-hydroxy-5-methanehydrazonoylbenzoic acid
CID 168528918

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzoic acid?
The IUPAC name of 5-[2-(2,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzoic acid (CID 1347) is 5-[2-(2,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[2-(2,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[2-(2,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzoic acid is O=C(O)c1cc(C=Cc2cc(O)ccc2O)ccc1O.
What is the InChIKey of 5-[2-(2,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzoic acid?
The InChIKey is AYPFKZQQTSLEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O5/c16-11-4-6-13(17)10(8-11)3-1-9-2-5-14(18)12(7-9)15(19)20/h1-8,16-18H,(H,19,20).
What are the key properties of 5-[2-(2,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzoic acid?
5-[2-(2,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzoic acid has a molecular weight of 272.26 g/mol, XLogP of 2.67, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 1347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).