3-bicyclo[4.1.0]hepta-2,4-dienyl(phenyl)methanone

C14H12O — CID 143087157

IUPAC3-bicyclo[4.1.0]hepta-2,4-dienyl(phenyl)methanone
SMILESO=C(C1=CC2CC2C=C1)c1ccccc1
InChIInChI=1S/C14H12O/c15-14(10-4-2-1-3-5-10)12-7-6-11-8-13(11)9-12/h1-7,9,11,13H,8H2
InChIKeyGJORMVWRCVLIOT-UHFFFAOYSA-N
MW196.25 g/mol
LogP3.00
Rot. Bonds2

About 3-bicyclo[4.1.0]hepta-2,4-dienyl(phenyl)methanone

3-bicyclo[4.1.0]hepta-2,4-dienyl(phenyl)methanone (PubChem CID 143087157) has the molecular formula C14H12O and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-bicyclo[4.1.0]hepta-2,4-dienyl(phenyl)methanone.

Molecular Properties

Compound Name3-bicyclo[4.1.0]hepta-2,4-dienyl(phenyl)methanone
PubChem CID143087157
Molecular FormulaC14H12O
Molecular Weight196.25 g/mol
Exact Mass196.09
IUPAC Name3-bicyclo[4.1.0]hepta-2,4-dienyl(phenyl)methanone
SMILESO=C(C1=CC2CC2C=C1)c1ccccc1
InChIInChI=1S/C14H12O/c15-14(10-4-2-1-3-5-10)12-7-6-11-8-13(11)9-12/h1-7,9,11,13H,8H2
InChIKeyGJORMVWRCVLIOT-UHFFFAOYSA-N
XLogP3.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;3-(2-methyl-1-phenylprop-1-enyl)bicyclo[4.1.0]hepta-2,4-diene
CID 143920230
[(4aS,9aR)-9,9a-dihydro-4aH-fluoren-2-yl]-phenylmethanone
CID 7819581
diphenylmethanone
CID 3102
[(1R,2R,3S,4R)-3-benzoyl-2-bicyclo[2.2.1]hept-5-enyl]-phenylmethanone
CID 98136767
tetrakis(carbonochloridic acid);diphenylmethanone
CID 173240243
diphenylmethanone;gold
CID 174931146
disodium;diphenylmethanone
CID 19380838
cobalt(2+);diphenylmethanone
CID 19033779
bis(diphenylmethanone);dihydrochloride
CID 69107757
[(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone
CID 12564065
(6-methyl-7-thiabicyclo[4.1.0]hepta-2,4-dien-3-yl)-phenylmethanone
CID 175540001
3-bicyclo[4.1.0]hepta-2,4-dienyl 2-methylpropanoate
CID 170712319

Frequently Asked Questions

What is the IUPAC name of 3-bicyclo[4.1.0]hepta-2,4-dienyl(phenyl)methanone?
The IUPAC name of 3-bicyclo[4.1.0]hepta-2,4-dienyl(phenyl)methanone (CID 143087157) is 3-bicyclo[4.1.0]hepta-2,4-dienyl(phenyl)methanone.
What is the SMILES notation for 3-bicyclo[4.1.0]hepta-2,4-dienyl(phenyl)methanone?
The canonical SMILES for 3-bicyclo[4.1.0]hepta-2,4-dienyl(phenyl)methanone is O=C(C1=CC2CC2C=C1)c1ccccc1.
What is the InChIKey of 3-bicyclo[4.1.0]hepta-2,4-dienyl(phenyl)methanone?
The InChIKey is GJORMVWRCVLIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O/c15-14(10-4-2-1-3-5-10)12-7-6-11-8-13(11)9-12/h1-7,9,11,13H,8H2.
What are the key properties of 3-bicyclo[4.1.0]hepta-2,4-dienyl(phenyl)methanone?
3-bicyclo[4.1.0]hepta-2,4-dienyl(phenyl)methanone has a molecular weight of 196.25 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bicyclo[4.1.0]hepta-2,4-dienyl(phenyl)methanone is sourced from PubChem (CID 143087157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).