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

C16H12Cl2O — CID 65321557

IUPAC1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,5-dichlorophenyl)ethanone
SMILESO=C(Cc1cc(Cl)ccc1Cl)C1Cc2ccccc21
InChIInChI=1S/C16H12Cl2O/c17-12-5-6-15(18)11(7-12)9-16(19)14-8-10-3-1-2-4-13(10)14/h1-7,14H,8-9H2
InChIKeyYBNYVOCQPIFKMX-UHFFFAOYSA-N
MW291.18 g/mol
LogP4.44
Rot. Bonds3

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

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,5-dichlorophenyl)ethanone (PubChem CID 65321557) has the molecular formula C16H12Cl2O and a molecular weight of 291.18 g/mol. Its IUPAC name is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,5-dichlorophenyl)ethanone.

Molecular Properties

Compound Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,5-dichlorophenyl)ethanone
PubChem CID65321557
Molecular FormulaC16H12Cl2O
Molecular Weight291.18 g/mol
Exact Mass290.03
IUPAC Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,5-dichlorophenyl)ethanone
SMILESO=C(Cc1cc(Cl)ccc1Cl)C1Cc2ccccc21
InChIInChI=1S/C16H12Cl2O/c17-12-5-6-15(18)11(7-12)9-16(19)14-8-10-3-1-2-4-13(10)14/h1-7,14H,8-9H2
InChIKeyYBNYVOCQPIFKMX-UHFFFAOYSA-N
XLogP4.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,5-dichlorophenyl)ethanone?
The IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,5-dichlorophenyl)ethanone (CID 65321557) is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,5-dichlorophenyl)ethanone.
What is the SMILES notation for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,5-dichlorophenyl)ethanone?
The canonical SMILES for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,5-dichlorophenyl)ethanone is O=C(Cc1cc(Cl)ccc1Cl)C1Cc2ccccc21.
What is the InChIKey of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,5-dichlorophenyl)ethanone?
The InChIKey is YBNYVOCQPIFKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2O/c17-12-5-6-15(18)11(7-12)9-16(19)14-8-10-3-1-2-4-13(10)14/h1-7,14H,8-9H2.
What are the key properties of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,5-dichlorophenyl)ethanone?
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,5-dichlorophenyl)ethanone has a molecular weight of 291.18 g/mol, XLogP of 4.44, 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-(2,5-dichlorophenyl)ethanone is sourced from PubChem (CID 65321557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).