2-hydroxy-4-(3-oxoprop-1-enyl)benzoic acid

C10H8O4 — CID 169459350

IUPAC2-hydroxy-4-(3-oxoprop-1-enyl)benzoic acid
SMILESO=CC=Cc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C10H8O4/c11-5-1-2-7-3-4-8(10(13)14)9(12)6-7/h1-6,12H,(H,13,14)
InChIKeyONAFITYOIMTZHR-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.30
Rot. Bonds3

About 2-hydroxy-4-(3-oxoprop-1-enyl)benzoic acid

2-hydroxy-4-(3-oxoprop-1-enyl)benzoic acid (PubChem CID 169459350) has the molecular formula C10H8O4 and a molecular weight of 192.17 g/mol. Its IUPAC name is 2-hydroxy-4-(3-oxoprop-1-enyl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-(3-oxoprop-1-enyl)benzoic acid
PubChem CID169459350
Molecular FormulaC10H8O4
Molecular Weight192.17 g/mol
Exact Mass192.04
IUPAC Name2-hydroxy-4-(3-oxoprop-1-enyl)benzoic acid
SMILESO=CC=Cc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C10H8O4/c11-5-1-2-7-3-4-8(10(13)14)9(12)6-7/h1-6,12H,(H,13,14)
InChIKeyONAFITYOIMTZHR-UHFFFAOYSA-N
XLogP1.30
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(3-oxoprop-1-enyl)benzoic acid?
The IUPAC name of 2-hydroxy-4-(3-oxoprop-1-enyl)benzoic acid (CID 169459350) is 2-hydroxy-4-(3-oxoprop-1-enyl)benzoic acid.
What is the SMILES notation for 2-hydroxy-4-(3-oxoprop-1-enyl)benzoic acid?
The canonical SMILES for 2-hydroxy-4-(3-oxoprop-1-enyl)benzoic acid is O=CC=Cc1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 2-hydroxy-4-(3-oxoprop-1-enyl)benzoic acid?
The InChIKey is ONAFITYOIMTZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O4/c11-5-1-2-7-3-4-8(10(13)14)9(12)6-7/h1-6,12H,(H,13,14).
What are the key properties of 2-hydroxy-4-(3-oxoprop-1-enyl)benzoic acid?
2-hydroxy-4-(3-oxoprop-1-enyl)benzoic acid has a molecular weight of 192.17 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(3-oxoprop-1-enyl)benzoic acid is sourced from PubChem (CID 169459350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).