2-ethenoxycarbonyl-3-hydroxybenzoic acid

C10H8O5 — CID 54475274

IUPAC2-ethenoxycarbonyl-3-hydroxybenzoic acid
SMILESC=COC(=O)c1c(O)cccc1C(=O)O
InChIInChI=1S/C10H8O5/c1-2-15-10(14)8-6(9(12)13)4-3-5-7(8)11/h2-5,11H,1H2,(H,12,13)
InChIKeyXLCZBEPSJRTCRM-UHFFFAOYSA-N
MW208.17 g/mol
LogP1.39
Rot. Bonds3

About 2-ethenoxycarbonyl-3-hydroxybenzoic acid

2-ethenoxycarbonyl-3-hydroxybenzoic acid (PubChem CID 54475274) has the molecular formula C10H8O5 and a molecular weight of 208.17 g/mol. Its IUPAC name is 2-ethenoxycarbonyl-3-hydroxybenzoic acid.

Molecular Properties

Compound Name2-ethenoxycarbonyl-3-hydroxybenzoic acid
PubChem CID54475274
Molecular FormulaC10H8O5
Molecular Weight208.17 g/mol
Exact Mass208.04
IUPAC Name2-ethenoxycarbonyl-3-hydroxybenzoic acid
SMILESC=COC(=O)c1c(O)cccc1C(=O)O
InChIInChI=1S/C10H8O5/c1-2-15-10(14)8-6(9(12)13)4-3-5-7(8)11/h2-5,11H,1H2,(H,12,13)
InChIKeyXLCZBEPSJRTCRM-UHFFFAOYSA-N
XLogP1.39
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

ethenol;2-ethenoxycarbonylbenzoic acid
CID 174432530
ethene;ethenyl 2-hydroxybenzoate
CID 159926426
ethane;3-hydroxy-2-methylbenzoic acid;prop-1-ene
CID 143312363
ethenyl benzoate
CID 158178912
CID 69279397
CID 69279397
2-(2-carboxy-6-methylbenzoyl)oxycarbonyl-3-methylbenzoic acid
CID 21117283
2-(2,6-dihydroxy-4-methylbenzoyl)-3-hydroxybenzoic acid
CID 74015882
2-ethenylbenzene-1,3-dicarboxylic acid
CID 141248980
barium(2+);benzene-1,2,3-tricarboxylic acid;hydride
CID 174613618
potassium;benzene-1,2,3-tricarboxylic acid;hydride
CID 174768168
2,6-dihydroxybenzoic acid;hydrate
CID 169225453
benzene-1,2-diol;phthalic acid
CID 160861167

Frequently Asked Questions

What is the IUPAC name of 2-ethenoxycarbonyl-3-hydroxybenzoic acid?
The IUPAC name of 2-ethenoxycarbonyl-3-hydroxybenzoic acid (CID 54475274) is 2-ethenoxycarbonyl-3-hydroxybenzoic acid.
What is the SMILES notation for 2-ethenoxycarbonyl-3-hydroxybenzoic acid?
The canonical SMILES for 2-ethenoxycarbonyl-3-hydroxybenzoic acid is C=COC(=O)c1c(O)cccc1C(=O)O.
What is the InChIKey of 2-ethenoxycarbonyl-3-hydroxybenzoic acid?
The InChIKey is XLCZBEPSJRTCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O5/c1-2-15-10(14)8-6(9(12)13)4-3-5-7(8)11/h2-5,11H,1H2,(H,12,13).
What are the key properties of 2-ethenoxycarbonyl-3-hydroxybenzoic acid?
2-ethenoxycarbonyl-3-hydroxybenzoic acid has a molecular weight of 208.17 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxycarbonyl-3-hydroxybenzoic acid is sourced from PubChem (CID 54475274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).