4-(3-hydroxyprop-1-enyl)benzene-1,3-dicarboxylic acid

C11H10O5 — CID 169454037

IUPAC4-(3-hydroxyprop-1-enyl)benzene-1,3-dicarboxylic acid
SMILESO=C(O)c1ccc(C=CCO)c(C(=O)O)c1
InChIInChI=1S/C11H10O5/c12-5-1-2-7-3-4-8(10(13)14)6-9(7)11(15)16/h1-4,6,12H,5H2,(H,13,14)(H,15,16)
InChIKeyRQLXRYMOVAYUJZ-UHFFFAOYSA-N
MW222.20 g/mol
LogP1.09
Rot. Bonds4

About 4-(3-hydroxyprop-1-enyl)benzene-1,3-dicarboxylic acid

4-(3-hydroxyprop-1-enyl)benzene-1,3-dicarboxylic acid (PubChem CID 169454037) has the molecular formula C11H10O5 and a molecular weight of 222.20 g/mol. Its IUPAC name is 4-(3-hydroxyprop-1-enyl)benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name4-(3-hydroxyprop-1-enyl)benzene-1,3-dicarboxylic acid
PubChem CID169454037
Molecular FormulaC11H10O5
Molecular Weight222.20 g/mol
Exact Mass222.05
IUPAC Name4-(3-hydroxyprop-1-enyl)benzene-1,3-dicarboxylic acid
SMILESO=C(O)c1ccc(C=CCO)c(C(=O)O)c1
InChIInChI=1S/C11H10O5/c12-5-1-2-7-3-4-8(10(13)14)6-9(7)11(15)16/h1-4,6,12H,5H2,(H,13,14)(H,15,16)
InChIKeyRQLXRYMOVAYUJZ-UHFFFAOYSA-N
XLogP1.09
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2,4-dicarboxyphenyl)ethenyl]benzene-1,3-dicarboxylic acid
CID 141181018
4-(3-carboxyprop-1-enyl)benzene-1,3-dicarboxylic acid
CID 170484358
2-(3-hydroxyprop-1-enyl)-5-methylbenzoic acid
CID 169453554
3-(3-hydroxyprop-1-enyl)-4-methoxybenzoic acid
CID 169453813
4-(hydroxyiminomethyl)benzene-1,3-dicarboxylic acid
CID 143094529
benzene-1,2,4-tricarboxylic acid;bis(ethane-1,2-diol)
CID 19102454
2-(4-sulfanylbut-1-enyl)terephthalic acid
CID 170479147
2-(4-aminobut-1-enyl)terephthalic acid
CID 170487722
2-(3-hydroxyprop-1-enyl)-4-methoxybenzoic acid
CID 169453819
5-amino-2-(3-aminoprop-1-enyl)benzoic acid
CID 169463944
3-bromo-4-(3-bromoprop-1-enyl)benzoic acid
CID 169476518
3-amino-4-(3-carboxyprop-1-enyl)benzoic acid
CID 170483977

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyprop-1-enyl)benzene-1,3-dicarboxylic acid?
The IUPAC name of 4-(3-hydroxyprop-1-enyl)benzene-1,3-dicarboxylic acid (CID 169454037) is 4-(3-hydroxyprop-1-enyl)benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 4-(3-hydroxyprop-1-enyl)benzene-1,3-dicarboxylic acid?
The canonical SMILES for 4-(3-hydroxyprop-1-enyl)benzene-1,3-dicarboxylic acid is O=C(O)c1ccc(C=CCO)c(C(=O)O)c1.
What is the InChIKey of 4-(3-hydroxyprop-1-enyl)benzene-1,3-dicarboxylic acid?
The InChIKey is RQLXRYMOVAYUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O5/c12-5-1-2-7-3-4-8(10(13)14)6-9(7)11(15)16/h1-4,6,12H,5H2,(H,13,14)(H,15,16).
What are the key properties of 4-(3-hydroxyprop-1-enyl)benzene-1,3-dicarboxylic acid?
4-(3-hydroxyprop-1-enyl)benzene-1,3-dicarboxylic acid has a molecular weight of 222.20 g/mol, XLogP of 1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyprop-1-enyl)benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 169454037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).