5-[1-(2,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzoic acid

C15H12O5 — CID 90286784

IUPAC5-[1-(2,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzoic acid
SMILESC=C(c1ccc(O)c(C(=O)O)c1)c1cc(O)ccc1O
InChIInChI=1S/C15H12O5/c1-8(11-7-10(16)3-5-13(11)17)9-2-4-14(18)12(6-9)15(19)20/h2-7,16-18H,1H2,(H,19,20)
InChIKeyMKJLNKHDYPRYTJ-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.56
Rot. Bonds3

About 5-[1-(2,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzoic acid

5-[1-(2,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzoic acid (PubChem CID 90286784) has the molecular formula C15H12O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is 5-[1-(2,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[1-(2,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzoic acid
PubChem CID90286784
Molecular FormulaC15H12O5
Molecular Weight272.26 g/mol
Exact Mass272.07
IUPAC Name5-[1-(2,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzoic acid
SMILESC=C(c1ccc(O)c(C(=O)O)c1)c1cc(O)ccc1O
InChIInChI=1S/C15H12O5/c1-8(11-7-10(16)3-5-13(11)17)9-2-4-14(18)12(6-9)15(19)20/h2-7,16-18H,1H2,(H,19,20)
InChIKeyMKJLNKHDYPRYTJ-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-dihydroxybenzoic acid;dihydrate
CID 140769659
2,5-dihydroxybenzoic acid;methanol
CID 174970806
strontium;2,5-dihydroxybenzoic acid;hydride
CID 173389066
4-hydroxybenzene-1,3-dicarboxylic acid
CID 161113247
5-[(2,5-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 107721538
2,4-dihydroxybenzoic acid
CID 1491
4-hydroxyphthalic acid;hydrate
CID 171991193
2-hydroxy-5-(morpholine-4-carbonyl)benzoic acid
CID 123499675
2,3-dihydroxybenzoic acid;2,4-dihydroxybenzoic acid;2,5-dihydroxybenzoic acid;3,5-dihydroxybenzoic acid
CID 158139782
3-carbonochloridoyl-4-hydroxybenzoic acid
CID 21396972
2-hydroxy-5-[2-(4-hydroxyphenoxy)carbonyloxyacetyl]benzoic acid
CID 137390788
5-[(2-chloro-5-hydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 106500152

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzoic acid?
The IUPAC name of 5-[1-(2,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzoic acid (CID 90286784) is 5-[1-(2,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[1-(2,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[1-(2,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzoic acid is C=C(c1ccc(O)c(C(=O)O)c1)c1cc(O)ccc1O.
What is the InChIKey of 5-[1-(2,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzoic acid?
The InChIKey is MKJLNKHDYPRYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O5/c1-8(11-7-10(16)3-5-13(11)17)9-2-4-14(18)12(6-9)15(19)20/h2-7,16-18H,1H2,(H,19,20).
What are the key properties of 5-[1-(2,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzoic acid?
5-[1-(2,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzoic acid has a molecular weight of 272.26 g/mol, XLogP of 2.56, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 90286784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).