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

C19H18O — CID 115780160

IUPAC2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2-phenylcyclopropyl)ethanone
SMILESO=C(CC1Cc2ccccc21)C1CC1c1ccccc1
InChIInChI=1S/C19H18O/c20-19(11-15-10-14-8-4-5-9-16(14)15)18-12-17(18)13-6-2-1-3-7-13/h1-9,15,17-18H,10-12H2
InChIKeyHQGLVUSZQZLKDS-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.09
Rot. Bonds4

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

2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2-phenylcyclopropyl)ethanone (PubChem CID 115780160) has the molecular formula C19H18O and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2-phenylcyclopropyl)ethanone.

Molecular Properties

Compound Name2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2-phenylcyclopropyl)ethanone
PubChem CID115780160
Molecular FormulaC19H18O
Molecular Weight262.35 g/mol
Exact Mass262.14
IUPAC Name2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2-phenylcyclopropyl)ethanone
SMILESO=C(CC1Cc2ccccc21)C1CC1c1ccccc1
InChIInChI=1S/C19H18O/c20-19(11-15-10-14-8-4-5-9-16(14)15)18-12-17(18)13-6-2-1-3-7-13/h1-9,15,17-18H,10-12H2
InChIKeyHQGLVUSZQZLKDS-UHFFFAOYSA-N
XLogP4.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-1-[(1S,2R)-2-phenylcyclopropyl]ethanone
CID 164769669
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
CID 115780164
1-(4-aminocyclopent-2-en-1-yl)-2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethanone
CID 116584905
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-piperidin-4-ylethanone
CID 116547626
3-oxo-3-[(1R,2R)-2-phenylcyclopropyl]propanenitrile
CID 86694682
2-[(2-methylpropan-2-yl)oxy]-1-(2-phenylcyclopropyl)ethanone
CID 105134784
1-(2-aminophenyl)-2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethanone
CID 66417221
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
methyl 3-oxo-3-[(1R,2R)-2-phenylcyclopropyl]propanoate
CID 101155586
2-(furan-2-yl)-1-(2-phenylcyclopropyl)ethanone
CID 115795569
3-(methylamino)-1-(2-phenylcyclopropyl)propan-1-one
CID 116561052

Frequently Asked Questions

What is the IUPAC name of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2-phenylcyclopropyl)ethanone?
The IUPAC name of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2-phenylcyclopropyl)ethanone (CID 115780160) is 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2-phenylcyclopropyl)ethanone.
What is the SMILES notation for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2-phenylcyclopropyl)ethanone?
The canonical SMILES for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2-phenylcyclopropyl)ethanone is O=C(CC1Cc2ccccc21)C1CC1c1ccccc1.
What is the InChIKey of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2-phenylcyclopropyl)ethanone?
The InChIKey is HQGLVUSZQZLKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O/c20-19(11-15-10-14-8-4-5-9-16(14)15)18-12-17(18)13-6-2-1-3-7-13/h1-9,15,17-18H,10-12H2.
What are the key properties of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2-phenylcyclopropyl)ethanone?
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2-phenylcyclopropyl)ethanone has a molecular weight of 262.35 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2-phenylcyclopropyl)ethanone is sourced from PubChem (CID 115780160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).