7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methylnaphthalen-1-yl)methanone

C20H16O — CID 81429285

IUPAC7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methylnaphthalen-1-yl)methanone
SMILESCc1ccc2ccccc2c1C(=O)C1Cc2ccccc21
InChIInChI=1S/C20H16O/c1-13-10-11-14-6-2-5-9-17(14)19(13)20(21)18-12-15-7-3-4-8-16(15)18/h2-11,18H,12H2,1H3
InChIKeyFJCBEASWRYRJCH-UHFFFAOYSA-N
MW272.35 g/mol
LogP4.67
Rot. Bonds2

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

7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methylnaphthalen-1-yl)methanone (PubChem CID 81429285) has the molecular formula C20H16O and a molecular weight of 272.35 g/mol. Its IUPAC name is 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methylnaphthalen-1-yl)methanone.

Molecular Properties

Compound Name7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methylnaphthalen-1-yl)methanone
PubChem CID81429285
Molecular FormulaC20H16O
Molecular Weight272.35 g/mol
Exact Mass272.12
IUPAC Name7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methylnaphthalen-1-yl)methanone
SMILESCc1ccc2ccccc2c1C(=O)C1Cc2ccccc21
InChIInChI=1S/C20H16O/c1-13-10-11-14-6-2-5-9-17(14)19(13)20(21)18-12-15-7-3-4-8-16(15)18/h2-11,18H,12H2,1H3
InChIKeyFJCBEASWRYRJCH-UHFFFAOYSA-N
XLogP4.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-1-yl)methanone
CID 64982163
7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-2-yl)methanone
CID 64982460
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106679968
(2-methylnaphthalen-1-yl)-pyrrolidin-2-ylmethanone
CID 81429349
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-ethylphenyl)methanone
CID 64982409
(4-amino-3-methylphenyl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone
CID 66395210
(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-(2-methylnaphthalen-1-yl)methanone
CID 171949043
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,5-dibromo-4-methylphenyl)methanone
CID 81468479
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3,4-dimethylphenyl)ethanone
CID 64986764
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
2-methyl-N,N-di(propan-2-yl)naphthalene-1-carboxamide
CID 15828026

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methylnaphthalen-1-yl)methanone?
The IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methylnaphthalen-1-yl)methanone (CID 81429285) is 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methylnaphthalen-1-yl)methanone.
What is the SMILES notation for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methylnaphthalen-1-yl)methanone?
The canonical SMILES for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methylnaphthalen-1-yl)methanone is Cc1ccc2ccccc2c1C(=O)C1Cc2ccccc21.
What is the InChIKey of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methylnaphthalen-1-yl)methanone?
The InChIKey is FJCBEASWRYRJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O/c1-13-10-11-14-6-2-5-9-17(14)19(13)20(21)18-12-15-7-3-4-8-16(15)18/h2-11,18H,12H2,1H3.
What are the key properties of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methylnaphthalen-1-yl)methanone?
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methylnaphthalen-1-yl)methanone has a molecular weight of 272.35 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methylnaphthalen-1-yl)methanone is sourced from PubChem (CID 81429285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).