1-(3-phenyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)ethanone

C15H14O — CID 15674616

IUPAC1-(3-phenyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)ethanone
SMILESCC(=O)C1=C(c2ccccc2)C2C=CC1C2
InChIInChI=1S/C15H14O/c1-10(16)14-12-7-8-13(9-12)15(14)11-5-3-2-4-6-11/h2-8,12-13H,9H2,1H3
InChIKeyUNEHANCGQJFLQS-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.24
Rot. Bonds2

About 1-(3-phenyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)ethanone

1-(3-phenyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)ethanone (PubChem CID 15674616) has the molecular formula C15H14O and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(3-phenyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)ethanone.

Molecular Properties

Compound Name1-(3-phenyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)ethanone
PubChem CID15674616
Molecular FormulaC15H14O
Molecular Weight210.28 g/mol
Exact Mass210.10
IUPAC Name1-(3-phenyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)ethanone
SMILESCC(=O)C1=C(c2ccccc2)C2C=CC1C2
InChIInChI=1S/C15H14O/c1-10(16)14-12-7-8-13(9-12)15(14)11-5-3-2-4-6-11/h2-8,12-13H,9H2,1H3
InChIKeyUNEHANCGQJFLQS-UHFFFAOYSA-N
XLogP3.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

potassium 3-phenylbicyclo[2.2.1]hepta-2,5-diene-2-carboxylate
CID 101022966
(1S)-7-(4-methylphenyl)-8-phenylbicyclo[4.2.1]nona-2,4,7-triene
CID 102499927
(1S,4S)-bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylic acid
CID 98045467
1-azulen-2-ylethanone
CID 15255141
acetic acid;1,1'-biphenyl;ethane
CID 91464981
acetic acid;1,1'-biphenyl;zinc
CID 70522083
[(1S,4S,6R,7R)-8,9-diphenyl-4-tricyclo[4.3.0.03,7]non-8-enyl] acetate
CID 102064517
1,1'-biphenyl;ethane;bis(1-phenylethanone)
CID 90714339
1-[2-(3,5-dihydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5,8-trien-4-yl)phenyl]ethanone
CID 91416933
2,3-diphenylbicyclo[2.2.1]hept-2-ene
CID 14908753
1,1'-biphenyl;palladium(2+);diacetate
CID 173036521
ethane;1-(4-phenylphenyl)ethanone
CID 123256888

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)ethanone?
The IUPAC name of 1-(3-phenyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)ethanone (CID 15674616) is 1-(3-phenyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)ethanone.
What is the SMILES notation for 1-(3-phenyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)ethanone?
The canonical SMILES for 1-(3-phenyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)ethanone is CC(=O)C1=C(c2ccccc2)C2C=CC1C2.
What is the InChIKey of 1-(3-phenyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)ethanone?
The InChIKey is UNEHANCGQJFLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O/c1-10(16)14-12-7-8-13(9-12)15(14)11-5-3-2-4-6-11/h2-8,12-13H,9H2,1H3.
What are the key properties of 1-(3-phenyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)ethanone?
1-(3-phenyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)ethanone has a molecular weight of 210.28 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)ethanone is sourced from PubChem (CID 15674616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).