(1-benzoyl-2-methylcyclopropyl)-phenylmethanone

C18H16O2 — CID 132510708

IUPAC(1-benzoyl-2-methylcyclopropyl)-phenylmethanone
SMILESCC1CC1(C(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C18H16O2/c1-13-12-18(13,16(19)14-8-4-2-5-9-14)17(20)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3
InChIKeyLPXUOIFBUQGUDG-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.78
Rot. Bonds4

About (1-benzoyl-2-methylcyclopropyl)-phenylmethanone

(1-benzoyl-2-methylcyclopropyl)-phenylmethanone (PubChem CID 132510708) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is (1-benzoyl-2-methylcyclopropyl)-phenylmethanone.

Molecular Properties

Compound Name(1-benzoyl-2-methylcyclopropyl)-phenylmethanone
PubChem CID132510708
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name(1-benzoyl-2-methylcyclopropyl)-phenylmethanone
SMILESCC1CC1(C(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C18H16O2/c1-13-12-18(13,16(19)14-8-4-2-5-9-14)17(20)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3
InChIKeyLPXUOIFBUQGUDG-UHFFFAOYSA-N
XLogP3.78
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[(1S,2R,4S)-2-benzoyl-2-bicyclo[2.2.1]hept-5-enyl]ethanone
CID 134980042
[1-(aminomethyl)-4-methylcyclohexyl]-phenylmethanone
CID 116604093
(1-fluorocyclopropyl)-phenylmethanone
CID 18983537
(1-methylcyclopent-3-en-1-yl)-phenylmethanone
CID 11106063
[(3R,4R)-4-hydroxy-1,3-dimethylpiperidin-4-yl]-phenylmethanone
CID 7377398
[(3S,4R)-4-hydroxy-1,3-dimethylpiperidin-1-ium-4-yl]-phenylmethanone
CID 7377399
1,2-diphenylethane-1,2-dione;iron
CID 70488368
[(1S,2S,4R,7S,8R,9R)-9-benzoyl-5,11-diazatetracyclo[6.2.2.02,7.04,9]dodecan-2-yl]-phenylmethanone
CID 98044536
iron;1-phenylethanone
CID 70488357
1-amino-2-benzoyl-1,3-dihydroindene-2-carboxylic acid
CID 174615307
phenyl-[(3R,4S,5S,7S,8R,9R,10S,12S,13R,14R,18S,19S)-1-undecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosanyl]methanone
CID 125035581
phenyl-[(3R,4R,5R,7S,8S,9S,10R,12R,13R,14S,18R,19S)-1-undecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosanyl]methanone
CID 125035583

Frequently Asked Questions

What is the IUPAC name of (1-benzoyl-2-methylcyclopropyl)-phenylmethanone?
The IUPAC name of (1-benzoyl-2-methylcyclopropyl)-phenylmethanone (CID 132510708) is (1-benzoyl-2-methylcyclopropyl)-phenylmethanone.
What is the SMILES notation for (1-benzoyl-2-methylcyclopropyl)-phenylmethanone?
The canonical SMILES for (1-benzoyl-2-methylcyclopropyl)-phenylmethanone is CC1CC1(C(=O)c1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of (1-benzoyl-2-methylcyclopropyl)-phenylmethanone?
The InChIKey is LPXUOIFBUQGUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c1-13-12-18(13,16(19)14-8-4-2-5-9-14)17(20)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3.
What are the key properties of (1-benzoyl-2-methylcyclopropyl)-phenylmethanone?
(1-benzoyl-2-methylcyclopropyl)-phenylmethanone has a molecular weight of 264.32 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzoyl-2-methylcyclopropyl)-phenylmethanone is sourced from PubChem (CID 132510708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).