2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl(phenyl)methanone

C13H8O — CID 19106285

IUPAC2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl(phenyl)methanone
SMILESO=C(c1ccccc1)c1cc2ccc1=2
InChIInChI=1S/C13H8O/c14-13(9-4-2-1-3-5-9)12-8-10-6-7-11(10)12/h1-8H
InChIKeyNOCATXVINVEFDL-UHFFFAOYSA-N
MW180.21 g/mol
LogP2.52
Rot. Bonds2

About 2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl(phenyl)methanone

2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl(phenyl)methanone (PubChem CID 19106285) has the molecular formula C13H8O and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl(phenyl)methanone.

Molecular Properties

Compound Name2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl(phenyl)methanone
PubChem CID19106285
Molecular FormulaC13H8O
Molecular Weight180.21 g/mol
Exact Mass180.06
IUPAC Name2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl(phenyl)methanone
SMILESO=C(c1ccccc1)c1cc2ccc1=2
InChIInChI=1S/C13H8O/c14-13(9-4-2-1-3-5-9)12-8-10-6-7-11(10)12/h1-8H
InChIKeyNOCATXVINVEFDL-UHFFFAOYSA-N
XLogP2.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzoylbenzoic acid;hydrofluoride
CID 70485904
5-benzoylbenzene-1,2,3,4-tetracarboxylic acid
CID 19877064
potassium;2-benzoylbenzoic acid;carbonic acid;hydride
CID 174538338
2-[3-(2-carboxybenzoyl)benzoyl]benzoic acid
CID 153325075
sodium;5-benzoylbenzene-1,2,3,4-tetracarboxylic acid;hydride
CID 173228711
4-benzoyl-6-(4-methylbenzoyl)benzene-1,3-dicarboxylic acid
CID 23586588
2-benzoyl-5-(4-methylbenzoyl)terephthalic acid
CID 23586512
diphenylmethanone
CID 3102
3,4-dibenzoylphthalic acid
CID 22269446
4-amino-2-benzoylbenzoic acid
CID 21494601
4-benzoyl-1-hydroxynaphthalene-2-carboxylic acid
CID 154089670
bis(diphenylmethanone);dihydrochloride
CID 69107757

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl(phenyl)methanone?
The IUPAC name of 2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl(phenyl)methanone (CID 19106285) is 2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl(phenyl)methanone.
What is the SMILES notation for 2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl(phenyl)methanone?
The canonical SMILES for 2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl(phenyl)methanone is O=C(c1ccccc1)c1cc2ccc1=2.
What is the InChIKey of 2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl(phenyl)methanone?
The InChIKey is NOCATXVINVEFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O/c14-13(9-4-2-1-3-5-9)12-8-10-6-7-11(10)12/h1-8H.
What are the key properties of 2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl(phenyl)methanone?
2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl(phenyl)methanone has a molecular weight of 180.21 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl(phenyl)methanone is sourced from PubChem (CID 19106285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).