3-(2-carboxyethenyl)-2-hydroxybenzoic acid

C10H8O5 — CID 54227521

IUPAC3-(2-carboxyethenyl)-2-hydroxybenzoic acid
SMILESO=C(O)C=Cc1cccc(C(=O)O)c1O
InChIInChI=1S/C10H8O5/c11-8(12)5-4-6-2-1-3-7(9(6)13)10(14)15/h1-5,13H,(H,11,12)(H,14,15)
InChIKeyOGWPWWBRJDLFBF-UHFFFAOYSA-N
MW208.17 g/mol
LogP1.19
Rot. Bonds3

About 3-(2-carboxyethenyl)-2-hydroxybenzoic acid

3-(2-carboxyethenyl)-2-hydroxybenzoic acid (PubChem CID 54227521) has the molecular formula C10H8O5 and a molecular weight of 208.17 g/mol. Its IUPAC name is 3-(2-carboxyethenyl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name3-(2-carboxyethenyl)-2-hydroxybenzoic acid
PubChem CID54227521
Molecular FormulaC10H8O5
Molecular Weight208.17 g/mol
Exact Mass208.04
IUPAC Name3-(2-carboxyethenyl)-2-hydroxybenzoic acid
SMILESO=C(O)C=Cc1cccc(C(=O)O)c1O
InChIInChI=1S/C10H8O5/c11-8(12)5-4-6-2-1-3-7(9(6)13)10(14)15/h1-5,13H,(H,11,12)(H,14,15)
InChIKeyOGWPWWBRJDLFBF-UHFFFAOYSA-N
XLogP1.19
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(2-hydroxyphenyl)prop-2-enoic acid
CID 5280841
3-[2-(2-carboxyethenyl)-3-hydroxyphenyl]prop-2-enoic acid
CID 54408784
3-(2-hydroxy-3-nitrophenyl)prop-2-enoic acid
CID 53401649
2-hydroxybenzene-1,3-dicarboxylic acid;methane
CID 174853771
2-(2-bromopropanoyl)-3-(2-carboxyethenyl)benzoic acid
CID 170837874
(Z)-3-(2,3,4-trihydroxyphenyl)prop-2-enoic acid
CID 54583307
3-(2,3,4-trihydroxyphenyl)prop-2-enoic acid
CID 71354565
3-[3-(2-chloro-4-methoxyphenyl)-3-oxoprop-1-enyl]-2-hydroxybenzoic acid
CID 175184467
3-(2-acetylphenyl)prop-2-enoic acid;hydrochloride
CID 174578374
2-(2-carboxyethenyl)-3-chlorobenzoic acid
CID 169460610
3-[3-(tert-butylcarbamoyl)-2-methylphenyl]prop-2-enoic acid
CID 77073031
(E)-3-(2-bromophenyl)prop-2-enoic acid
CID 688321

Frequently Asked Questions

What is the IUPAC name of 3-(2-carboxyethenyl)-2-hydroxybenzoic acid?
The IUPAC name of 3-(2-carboxyethenyl)-2-hydroxybenzoic acid (CID 54227521) is 3-(2-carboxyethenyl)-2-hydroxybenzoic acid.
What is the SMILES notation for 3-(2-carboxyethenyl)-2-hydroxybenzoic acid?
The canonical SMILES for 3-(2-carboxyethenyl)-2-hydroxybenzoic acid is O=C(O)C=Cc1cccc(C(=O)O)c1O.
What is the InChIKey of 3-(2-carboxyethenyl)-2-hydroxybenzoic acid?
The InChIKey is OGWPWWBRJDLFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O5/c11-8(12)5-4-6-2-1-3-7(9(6)13)10(14)15/h1-5,13H,(H,11,12)(H,14,15).
What are the key properties of 3-(2-carboxyethenyl)-2-hydroxybenzoic acid?
3-(2-carboxyethenyl)-2-hydroxybenzoic acid has a molecular weight of 208.17 g/mol, XLogP of 1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-carboxyethenyl)-2-hydroxybenzoic acid is sourced from PubChem (CID 54227521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).