7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,4-dichlorophenyl)methanone

C15H10Cl2O — CID 66396102

IUPAC7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)C1Cc2ccccc21
InChIInChI=1S/C15H10Cl2O/c16-10-5-6-12(14(17)8-10)15(18)13-7-9-3-1-2-4-11(9)13/h1-6,8,13H,7H2
InChIKeyAKELMYIUKRLVMU-UHFFFAOYSA-N
MW277.15 g/mol
LogP4.52
Rot. Bonds2

About 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,4-dichlorophenyl)methanone

7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,4-dichlorophenyl)methanone (PubChem CID 66396102) has the molecular formula C15H10Cl2O and a molecular weight of 277.15 g/mol. Its IUPAC name is 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,4-dichlorophenyl)methanone
PubChem CID66396102
Molecular FormulaC15H10Cl2O
Molecular Weight277.15 g/mol
Exact Mass276.01
IUPAC Name7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)C1Cc2ccccc21
InChIInChI=1S/C15H10Cl2O/c16-10-5-6-12(14(17)8-10)15(18)13-7-9-3-1-2-4-11(9)13/h1-6,8,13H,7H2
InChIKeyAKELMYIUKRLVMU-UHFFFAOYSA-N
XLogP4.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,3-dichlorophenyl)methanone
CID 64982050
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,5-dichlorophenyl)ethanone
CID 65321557
5-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-6-chloro-1,3-dihydroindol-2-one
CID 66395714
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
N-(2-amino-5-chlorophenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66394332
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,5-dibromo-4-methylphenyl)methanone
CID 81468479
cyclobutyl-(2,4-dichlorophenyl)methanone
CID 24724148
bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl iodide
CID 22956884
(4-aminophenyl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone
CID 66395209
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-propan-2-ylphenyl)methanone
CID 64986357
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-methylindol-3-yl)methanone
CID 66394358

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,4-dichlorophenyl)methanone?
The IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,4-dichlorophenyl)methanone (CID 66396102) is 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,4-dichlorophenyl)methanone.
What is the SMILES notation for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,4-dichlorophenyl)methanone?
The canonical SMILES for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,4-dichlorophenyl)methanone is O=C(c1ccc(Cl)cc1Cl)C1Cc2ccccc21.
What is the InChIKey of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,4-dichlorophenyl)methanone?
The InChIKey is AKELMYIUKRLVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2O/c16-10-5-6-12(14(17)8-10)15(18)13-7-9-3-1-2-4-11(9)13/h1-6,8,13H,7H2.
What are the key properties of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,4-dichlorophenyl)methanone?
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,4-dichlorophenyl)methanone has a molecular weight of 277.15 g/mol, XLogP of 4.52, 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-(2,4-dichlorophenyl)methanone is sourced from PubChem (CID 66396102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).