1-(4-acetyl-3-prop-1-en-2-ylphenyl)ethanone

C13H14O2 — CID 143618771

IUPAC1-(4-acetyl-3-prop-1-en-2-ylphenyl)ethanone
SMILESC=C(C)c1cc(C(C)=O)ccc1C(C)=O
InChIInChI=1S/C13H14O2/c1-8(2)13-7-11(9(3)14)5-6-12(13)10(4)15/h5-7H,1H2,2-4H3
InChIKeyQIIFLRBUUIORSC-UHFFFAOYSA-N
MW202.25 g/mol
LogP3.12
Rot. Bonds3

About 1-(4-acetyl-3-prop-1-en-2-ylphenyl)ethanone

1-(4-acetyl-3-prop-1-en-2-ylphenyl)ethanone (PubChem CID 143618771) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-(4-acetyl-3-prop-1-en-2-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-acetyl-3-prop-1-en-2-ylphenyl)ethanone
PubChem CID143618771
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name1-(4-acetyl-3-prop-1-en-2-ylphenyl)ethanone
SMILESC=C(C)c1cc(C(C)=O)ccc1C(C)=O
InChIInChI=1S/C13H14O2/c1-8(2)13-7-11(9(3)14)5-6-12(13)10(4)15/h5-7H,1H2,2-4H3
InChIKeyQIIFLRBUUIORSC-UHFFFAOYSA-N
XLogP3.12
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,4-tris(prop-1-en-2-yl)benzene
CID 11194966
1-(2-acetylphenyl)ethanone;1-(3-acetylphenyl)ethanone;1-(4-prop-1-en-2-ylphenyl)ethanone
CID 160569091
1-(4-acetyl-3-methylphenyl)ethanone;1-(4-acetylphenyl)ethanone
CID 54481190
3,4-diacetylbenzamide
CID 70447380
2,5-diacetylbenzaldehyde
CID 143109306
1-(3,4-dibenzoylphenyl)ethanone
CID 122398532
dimethyl 4-acetylbenzene-1,3-dicarboxylate
CID 69333095
1-(5-prop-1-en-2-yl-2-propylphenyl)ethanone
CID 162722129
4-[3,4-bis(prop-1-en-2-yl)phenyl]-1,2-bis(prop-1-en-2-yl)benzene
CID 176568889
1-(4-acetylphenyl)ethanone;methane
CID 159515104
2-methyl-4-prop-1-en-2-ylbenzoic acid
CID 130288134
1-[3-acetyl-4-(aminomethoxy)phenyl]ethanone
CID 173058380

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetyl-3-prop-1-en-2-ylphenyl)ethanone?
The IUPAC name of 1-(4-acetyl-3-prop-1-en-2-ylphenyl)ethanone (CID 143618771) is 1-(4-acetyl-3-prop-1-en-2-ylphenyl)ethanone.
What is the SMILES notation for 1-(4-acetyl-3-prop-1-en-2-ylphenyl)ethanone?
The canonical SMILES for 1-(4-acetyl-3-prop-1-en-2-ylphenyl)ethanone is C=C(C)c1cc(C(C)=O)ccc1C(C)=O.
What is the InChIKey of 1-(4-acetyl-3-prop-1-en-2-ylphenyl)ethanone?
The InChIKey is QIIFLRBUUIORSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-8(2)13-7-11(9(3)14)5-6-12(13)10(4)15/h5-7H,1H2,2-4H3.
What are the key properties of 1-(4-acetyl-3-prop-1-en-2-ylphenyl)ethanone?
1-(4-acetyl-3-prop-1-en-2-ylphenyl)ethanone has a molecular weight of 202.25 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetyl-3-prop-1-en-2-ylphenyl)ethanone is sourced from PubChem (CID 143618771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).