2-hydroxy-4-(3-oxoprop-1-enyl)benzaldehyde

C10H8O3 — CID 169458960

IUPAC2-hydroxy-4-(3-oxoprop-1-enyl)benzaldehyde
SMILESO=CC=Cc1ccc(C=O)c(O)c1
InChIInChI=1S/C10H8O3/c11-5-1-2-8-3-4-9(7-12)10(13)6-8/h1-7,13H
InChIKeyNROCHSCQZOWZMU-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.42
Rot. Bonds3

About 2-hydroxy-4-(3-oxoprop-1-enyl)benzaldehyde

2-hydroxy-4-(3-oxoprop-1-enyl)benzaldehyde (PubChem CID 169458960) has the molecular formula C10H8O3 and a molecular weight of 176.17 g/mol. Its IUPAC name is 2-hydroxy-4-(3-oxoprop-1-enyl)benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-4-(3-oxoprop-1-enyl)benzaldehyde
PubChem CID169458960
Molecular FormulaC10H8O3
Molecular Weight176.17 g/mol
Exact Mass176.05
IUPAC Name2-hydroxy-4-(3-oxoprop-1-enyl)benzaldehyde
SMILESO=CC=Cc1ccc(C=O)c(O)c1
InChIInChI=1S/C10H8O3/c11-5-1-2-8-3-4-9(7-12)10(13)6-8/h1-7,13H
InChIKeyNROCHSCQZOWZMU-UHFFFAOYSA-N
XLogP1.42
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.42
H-Bond Donors ≤ 51
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)benzaldehyde?
The IUPAC name of 2-hydroxy-4-(3-oxoprop-1-enyl)benzaldehyde (CID 169458960) is 2-hydroxy-4-(3-oxoprop-1-enyl)benzaldehyde.
What is the SMILES notation for 2-hydroxy-4-(3-oxoprop-1-enyl)benzaldehyde?
The canonical SMILES for 2-hydroxy-4-(3-oxoprop-1-enyl)benzaldehyde is O=CC=Cc1ccc(C=O)c(O)c1.
What is the InChIKey of 2-hydroxy-4-(3-oxoprop-1-enyl)benzaldehyde?
The InChIKey is NROCHSCQZOWZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3/c11-5-1-2-8-3-4-9(7-12)10(13)6-8/h1-7,13H.
What are the key properties of 2-hydroxy-4-(3-oxoprop-1-enyl)benzaldehyde?
2-hydroxy-4-(3-oxoprop-1-enyl)benzaldehyde has a molecular weight of 176.17 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(3-oxoprop-1-enyl)benzaldehyde is sourced from PubChem (CID 169458960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).