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

C15H10Cl2O — CID 64982050

IUPAC7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,3-dichlorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1Cl)C1Cc2ccccc21
InChIInChI=1S/C15H10Cl2O/c16-13-7-3-6-11(14(13)17)15(18)12-8-9-4-1-2-5-10(9)12/h1-7,12H,8H2
InChIKeyPORUTOHXPOWRDD-UHFFFAOYSA-N
MW277.15 g/mol
LogP4.52
Rot. Bonds2

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

7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,3-dichlorophenyl)methanone (PubChem CID 64982050) 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-(2,3-dichlorophenyl)methanone.

Molecular Properties

Compound Name7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,3-dichlorophenyl)methanone
PubChem CID64982050
Molecular FormulaC15H10Cl2O
Molecular Weight277.15 g/mol
Exact Mass276.01
IUPAC Name7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,3-dichlorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1Cl)C1Cc2ccccc21
InChIInChI=1S/C15H10Cl2O/c16-13-7-3-6-11(14(13)17)15(18)12-8-9-4-1-2-5-10(9)12/h1-7,12H,8H2
InChIKeyPORUTOHXPOWRDD-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(naphthalen-1-yl)methanone
CID 64982163
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,4-dichlorophenyl)methanone
CID 66396102
bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl iodide
CID 22956884
2-adamantyl-(2,3-dichlorophenyl)methanone
CID 114970494
5-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-6-chloro-1,3-dihydroindol-2-one
CID 66395714
(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
(2-chloro-3-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone
CID 106892979
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-(2,5-dibromo-4-methylphenyl)methanone
CID 81468479
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-methylindol-3-yl)methanone
CID 66394358
(2,3-dichlorophenyl)-(3-methyloxolan-2-yl)methanone
CID 114970423

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,3-dichlorophenyl)methanone?
The IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,3-dichlorophenyl)methanone (CID 64982050) is 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,3-dichlorophenyl)methanone.
What is the SMILES notation for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,3-dichlorophenyl)methanone?
The canonical SMILES for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,3-dichlorophenyl)methanone is O=C(c1cccc(Cl)c1Cl)C1Cc2ccccc21.
What is the InChIKey of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,3-dichlorophenyl)methanone?
The InChIKey is PORUTOHXPOWRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2O/c16-13-7-3-6-11(14(13)17)15(18)12-8-9-4-1-2-5-10(9)12/h1-7,12H,8H2.
What are the key properties of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,3-dichlorophenyl)methanone?
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,3-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-(2,3-dichlorophenyl)methanone is sourced from PubChem (CID 64982050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).