1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-phenylethanone

C16H14O — CID 23248

IUPAC1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)C1Cc2ccccc21
InChIInChI=1S/C16H14O/c17-16(10-12-6-2-1-3-7-12)15-11-13-8-4-5-9-14(13)15/h1-9,15H,10-11H2
InChIKeyMWRCQJJQFQLAJJ-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.14
Rot. Bonds3

About 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-phenylethanone

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-phenylethanone (PubChem CID 23248) has the molecular formula C16H14O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-phenylethanone.

Molecular Properties

Compound Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-phenylethanone
PubChem CID23248
Molecular FormulaC16H14O
Molecular Weight222.29 g/mol
Exact Mass222.10
IUPAC Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)C1Cc2ccccc21
InChIInChI=1S/C16H14O/c17-16(10-12-6-2-1-3-7-12)15-11-13-8-4-5-9-14(13)15/h1-9,15H,10-11H2
InChIKeyMWRCQJJQFQLAJJ-UHFFFAOYSA-N
XLogP3.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-phenylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3,4-dimethylphenyl)ethanone
CID 64986764
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,5-dichlorophenyl)ethanone
CID 65321557
bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl iodide
CID 22956884
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4,4-dimethylpentan-1-one
CID 64982056
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methylpent-4-en-1-one
CID 114473574
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-bromo-2-chlorophenyl)ethanone
CID 113471191
1-(2,3-dihydro-1H-isoindol-1-yl)-2-phenylethanone
CID 90758928
4-oxo-4-(2-tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaenyl)butanoic acid
CID 155638342
methyl (7S)-bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate
CID 124511173
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047094
2-[benzyl-[(7R)-bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl]amino]acetic acid
CID 164641554
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-phenylacetamide
CID 114302037

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-phenylethanone?
The IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-phenylethanone (CID 23248) is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-phenylethanone.
What is the SMILES notation for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-phenylethanone?
The canonical SMILES for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-phenylethanone is O=C(Cc1ccccc1)C1Cc2ccccc21.
What is the InChIKey of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-phenylethanone?
The InChIKey is MWRCQJJQFQLAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O/c17-16(10-12-6-2-1-3-7-12)15-11-13-8-4-5-9-14(13)15/h1-9,15H,10-11H2.
What are the key properties of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-phenylethanone?
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-phenylethanone has a molecular weight of 222.29 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-phenylethanone is sourced from PubChem (CID 23248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).