phenacyl

C8H7O — CID 11123355

IUPAC—
SMILESC=C([O])c1ccccc1
InChIInChI=1S/C8H7O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H2
InChIKeyXAKBSHICSHRJCL-UHFFFAOYSA-N
MW119.14 g/mol
LogP2.09
Rot. Bonds1

About phenacyl

phenacyl (PubChem CID 11123355) has the molecular formula C8H7O and a molecular weight of 119.14 g/mol.

Molecular Properties

Compound Namephenacyl
PubChem CID11123355
Molecular FormulaC8H7O
Molecular Weight119.14 g/mol
Exact Mass119.05
IUPAC Name—
SMILESC=C([O])c1ccccc1
InChIInChI=1S/C8H7O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H2
InChIKeyXAKBSHICSHRJCL-UHFFFAOYSA-N
XLogP2.09
TPSA19.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.14
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-phenylethenylbenzene;hydrochloride
CID 70400725
potassium 1-phenylethenylbenzene
CID 19358731
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
CID 159091938
CID 159091938
4-phenylpenta-1,4-dien-2-ylbenzene
CID 102571838
benzoic acid;ethene
CID 160765727
mercury(1+);1-phenylethenylbenzene;chloride
CID 171374959
acetaldehyde;buta-1,3-dien-2-ylbenzene
CID 23325207
2-phenylprop-2-enoic acid;prop-2-enoic acid
CID 70022748
ethane;2-phenylprop-2-enoic acid
CID 142472843
buta-1,3-diene;buta-1,3-dien-2-ylbenzene
CID 159301078
hydroxy-oxo-(1-phenylethenyl)phosphanium
CID 12633797

Frequently Asked Questions

What is the IUPAC name of phenacyl?
The IUPAC name of phenacyl (CID 11123355) is not available.
What is the SMILES notation for phenacyl?
The canonical SMILES for phenacyl is C=C([O])c1ccccc1.
What is the InChIKey of phenacyl?
The InChIKey is XAKBSHICSHRJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H2.
What are the key properties of phenacyl?
phenacyl has a molecular weight of 119.14 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl is sourced from PubChem (CID 11123355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).