acetaldehyde;1-(2-acetylphenyl)ethanone

C12H14O3 — CID 159210458

IUPACacetaldehyde;1-(2-acetylphenyl)ethanone
SMILESCC(=O)c1ccccc1C(C)=O.CC=O
InChIInChI=1S/C10H10O2.C2H4O/c1-7(11)9-5-3-4-6-10(9)8(2)12;1-2-3/h3-6H,1-2H3;2H,1H3
InChIKeyKQKSODNZRACHPE-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.30
Rot. Bonds2

About acetaldehyde;1-(2-acetylphenyl)ethanone

acetaldehyde;1-(2-acetylphenyl)ethanone (PubChem CID 159210458) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is acetaldehyde;1-(2-acetylphenyl)ethanone.

Molecular Properties

Compound Nameacetaldehyde;1-(2-acetylphenyl)ethanone
PubChem CID159210458
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Nameacetaldehyde;1-(2-acetylphenyl)ethanone
SMILESCC(=O)c1ccccc1C(C)=O.CC=O
InChIInChI=1S/C10H10O2.C2H4O/c1-7(11)9-5-3-4-6-10(9)8(2)12;1-2-3/h3-6H,1-2H3;2H,1H3
InChIKeyKQKSODNZRACHPE-UHFFFAOYSA-N
XLogP2.30
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-acetylphenyl)ethanone;methane
CID 158210616
(E)-1-(2-acetylphenyl)-3-hydroxyprop-2-en-1-one
CID 138456947
(2E)-2-(2-acetylphenyl)-2-methoxyiminoacetaldehyde
CID 59885030
bis(1-(2-hydroxyphenyl)ethanone);zirconium
CID 87865139
cerium;1-(2-hydroxyphenyl)ethanone
CID 174280590
ethane;1-(2-methylphenyl)ethanone;prop-1-ene
CID 171517790
ethane;1-(2-methylphenyl)ethanone
CID 91374073
1-(2-chlorophenyl)ethanone;hydrochloride
CID 174743581
2-acetyl-N-oxidobenzamide
CID 163875491
1-(2-acetylphenyl)-2-bromoethanone
CID 10037328
1-(2-acetylphenyl)butane-1,3-dione
CID 56993982
1-(2-benzoylphenyl)ethanone;molecular nitrogen
CID 174779565

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;1-(2-acetylphenyl)ethanone?
The IUPAC name of acetaldehyde;1-(2-acetylphenyl)ethanone (CID 159210458) is acetaldehyde;1-(2-acetylphenyl)ethanone.
What is the SMILES notation for acetaldehyde;1-(2-acetylphenyl)ethanone?
The canonical SMILES for acetaldehyde;1-(2-acetylphenyl)ethanone is CC(=O)c1ccccc1C(C)=O.CC=O.
What is the InChIKey of acetaldehyde;1-(2-acetylphenyl)ethanone?
The InChIKey is KQKSODNZRACHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2.C2H4O/c1-7(11)9-5-3-4-6-10(9)8(2)12;1-2-3/h3-6H,1-2H3;2H,1H3.
What are the key properties of acetaldehyde;1-(2-acetylphenyl)ethanone?
acetaldehyde;1-(2-acetylphenyl)ethanone has a molecular weight of 206.24 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;1-(2-acetylphenyl)ethanone is sourced from PubChem (CID 159210458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).