2-hydroxy-5-(2-oxopropyl)benzaldehyde

C10H10O3 — CID 130776393

IUPAC2-hydroxy-5-(2-oxopropyl)benzaldehyde
SMILESCC(=O)Cc1ccc(O)c(C=O)c1
InChIInChI=1S/C10H10O3/c1-7(12)4-8-2-3-10(13)9(5-8)6-11/h2-3,5-6,13H,4H2,1H3
InChIKeyDRYHHCVDAUNPQE-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.34
Rot. Bonds3

About 2-hydroxy-5-(2-oxopropyl)benzaldehyde

2-hydroxy-5-(2-oxopropyl)benzaldehyde (PubChem CID 130776393) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-hydroxy-5-(2-oxopropyl)benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-5-(2-oxopropyl)benzaldehyde
PubChem CID130776393
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name2-hydroxy-5-(2-oxopropyl)benzaldehyde
SMILESCC(=O)Cc1ccc(O)c(C=O)c1
InChIInChI=1S/C10H10O3/c1-7(12)4-8-2-3-10(13)9(5-8)6-11/h2-3,5-6,13H,4H2,1H3
InChIKeyDRYHHCVDAUNPQE-UHFFFAOYSA-N
XLogP1.34
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(2-oxopropyl)benzaldehyde?
The IUPAC name of 2-hydroxy-5-(2-oxopropyl)benzaldehyde (CID 130776393) is 2-hydroxy-5-(2-oxopropyl)benzaldehyde.
What is the SMILES notation for 2-hydroxy-5-(2-oxopropyl)benzaldehyde?
The canonical SMILES for 2-hydroxy-5-(2-oxopropyl)benzaldehyde is CC(=O)Cc1ccc(O)c(C=O)c1.
What is the InChIKey of 2-hydroxy-5-(2-oxopropyl)benzaldehyde?
The InChIKey is DRYHHCVDAUNPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c1-7(12)4-8-2-3-10(13)9(5-8)6-11/h2-3,5-6,13H,4H2,1H3.
What are the key properties of 2-hydroxy-5-(2-oxopropyl)benzaldehyde?
2-hydroxy-5-(2-oxopropyl)benzaldehyde has a molecular weight of 178.19 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(2-oxopropyl)benzaldehyde is sourced from PubChem (CID 130776393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).