3-acetyl-2-hydroxybenzaldehyde

C9H8O3 — CID 10975813

IUPAC3-acetyl-2-hydroxybenzaldehyde
SMILESCC(=O)c1cccc(C=O)c1O
InChIInChI=1S/C9H8O3/c1-6(11)8-4-2-3-7(5-10)9(8)12/h2-5,12H,1H3
InChIKeyOPPZJAAVEDSDPQ-UHFFFAOYSA-N
MW164.16 g/mol
LogP1.41
Rot. Bonds2

About 3-acetyl-2-hydroxybenzaldehyde

3-acetyl-2-hydroxybenzaldehyde (PubChem CID 10975813) has the molecular formula C9H8O3 and a molecular weight of 164.16 g/mol. Its IUPAC name is 3-acetyl-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name3-acetyl-2-hydroxybenzaldehyde
PubChem CID10975813
Molecular FormulaC9H8O3
Molecular Weight164.16 g/mol
Exact Mass164.05
IUPAC Name3-acetyl-2-hydroxybenzaldehyde
SMILESCC(=O)c1cccc(C=O)c1O
InChIInChI=1S/C9H8O3/c1-6(11)8-4-2-3-7(5-10)9(8)12/h2-5,12H,1H3
InChIKeyOPPZJAAVEDSDPQ-UHFFFAOYSA-N
XLogP1.41
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-acetylnaphthalene-1-carbaldehyde
CID 14613312
3-acetyl-2-methoxybenzaldehyde
CID 148697874
2,3-dihydroxybenzaldehyde
CID 159243971
(3-acetyl-2-hydroxyphenyl)azanium
CID 58330574
potassium;3-acetyl-2-hydroxybenzoate;dihydrate
CID 67923270
1-(2-methyl-3-tritiocarbonylphenyl)ethanone
CID 59922204
acetaldehyde;1-(2-acetylphenyl)ethanone
CID 159210458
1-(2-hydroxy-3-nitrosophenyl)ethanone
CID 152988503
2-hydroxy-3-methoxybenzaldehyde
CID 8991
(2-acetylphenyl) (2-formylphenyl) carbonate;ethene
CID 142249621
1-[2-hydroxy-3-(3-methylbut-2-enyl)phenyl]ethanone
CID 44604289
2-hydroxy-3-methoxybenzaldehyde;methane
CID 165075137

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2-hydroxybenzaldehyde?
The IUPAC name of 3-acetyl-2-hydroxybenzaldehyde (CID 10975813) is 3-acetyl-2-hydroxybenzaldehyde.
What is the SMILES notation for 3-acetyl-2-hydroxybenzaldehyde?
The canonical SMILES for 3-acetyl-2-hydroxybenzaldehyde is CC(=O)c1cccc(C=O)c1O.
What is the InChIKey of 3-acetyl-2-hydroxybenzaldehyde?
The InChIKey is OPPZJAAVEDSDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O3/c1-6(11)8-4-2-3-7(5-10)9(8)12/h2-5,12H,1H3.
What are the key properties of 3-acetyl-2-hydroxybenzaldehyde?
3-acetyl-2-hydroxybenzaldehyde has a molecular weight of 164.16 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-hydroxybenzaldehyde is sourced from PubChem (CID 10975813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).