8-acetylnaphthalene-1-carbaldehyde

C13H10O2 — CID 14613312

IUPAC8-acetylnaphthalene-1-carbaldehyde
SMILESCC(=O)c1cccc2cccc(C=O)c12
InChIInChI=1S/C13H10O2/c1-9(15)12-7-3-5-10-4-2-6-11(8-14)13(10)12/h2-8H,1H3
InChIKeyMDZDRHLZOOJKBB-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.85
Rot. Bonds2

About 8-acetylnaphthalene-1-carbaldehyde

8-acetylnaphthalene-1-carbaldehyde (PubChem CID 14613312) has the molecular formula C13H10O2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 8-acetylnaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name8-acetylnaphthalene-1-carbaldehyde
PubChem CID14613312
Molecular FormulaC13H10O2
Molecular Weight198.22 g/mol
Exact Mass198.07
IUPAC Name8-acetylnaphthalene-1-carbaldehyde
SMILESCC(=O)c1cccc2cccc(C=O)c12
InChIInChI=1S/C13H10O2/c1-9(15)12-7-3-5-10-4-2-6-11(8-14)13(10)12/h2-8H,1H3
InChIKeyMDZDRHLZOOJKBB-UHFFFAOYSA-N
XLogP2.85
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;4,5,8-triacetylnaphthalene-1-carbaldehyde
CID 143543036
3-acetyl-2-hydroxybenzaldehyde
CID 10975813
3-acetyl-2-methoxybenzaldehyde
CID 148697874
1,8-diformylnaphthalene-2-carboxylic acid
CID 87507167
7-hydroxy-8-methylnaphthalene-1-carbaldehyde
CID 176847808
8-bromonaphthalene-1-carbaldehyde
CID 13067255
1-(2-methyl-3-tritiocarbonylphenyl)ethanone
CID 59922204
acetaldehyde;1-(2-acetylphenyl)ethanone
CID 159210458
(2-acetylphenyl) (2-formylphenyl) carbonate;ethene
CID 142249621
4-acetylnaphthalene-1-carbaldehyde
CID 59092057
1-(2-acetylphenyl)ethanone;methane
CID 158210616
1-[8-[1,1-bis(4-ethenylphenyl)ethyl]naphthalen-1-yl]ethanone
CID 177288031

Frequently Asked Questions

What is the IUPAC name of 8-acetylnaphthalene-1-carbaldehyde?
The IUPAC name of 8-acetylnaphthalene-1-carbaldehyde (CID 14613312) is 8-acetylnaphthalene-1-carbaldehyde.
What is the SMILES notation for 8-acetylnaphthalene-1-carbaldehyde?
The canonical SMILES for 8-acetylnaphthalene-1-carbaldehyde is CC(=O)c1cccc2cccc(C=O)c12.
What is the InChIKey of 8-acetylnaphthalene-1-carbaldehyde?
The InChIKey is MDZDRHLZOOJKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2/c1-9(15)12-7-3-5-10-4-2-6-11(8-14)13(10)12/h2-8H,1H3.
What are the key properties of 8-acetylnaphthalene-1-carbaldehyde?
8-acetylnaphthalene-1-carbaldehyde has a molecular weight of 198.22 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetylnaphthalene-1-carbaldehyde is sourced from PubChem (CID 14613312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).