2-(3,4-dimethylphenyl)-1-(1-phenylcyclopropyl)ethanone

C19H20O — CID 62880387

IUPAC2-(3,4-dimethylphenyl)-1-(1-phenylcyclopropyl)ethanone
SMILESCc1ccc(CC(=O)C2(c3ccccc3)CC2)cc1C
InChIInChI=1S/C19H20O/c1-14-8-9-16(12-15(14)2)13-18(20)19(10-11-19)17-6-4-3-5-7-17/h3-9,12H,10-11,13H2,1-2H3
InChIKeyAFOASYJNTYSGRS-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.15
Rot. Bonds4

About 2-(3,4-dimethylphenyl)-1-(1-phenylcyclopropyl)ethanone

2-(3,4-dimethylphenyl)-1-(1-phenylcyclopropyl)ethanone (PubChem CID 62880387) has the molecular formula C19H20O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-1-(1-phenylcyclopropyl)ethanone.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-1-(1-phenylcyclopropyl)ethanone
PubChem CID62880387
Molecular FormulaC19H20O
Molecular Weight264.37 g/mol
Exact Mass264.15
IUPAC Name2-(3,4-dimethylphenyl)-1-(1-phenylcyclopropyl)ethanone
SMILESCc1ccc(CC(=O)C2(c3ccccc3)CC2)cc1C
InChIInChI=1S/C19H20O/c1-14-8-9-16(12-15(14)2)13-18(20)19(10-11-19)17-6-4-3-5-7-17/h3-9,12H,10-11,13H2,1-2H3
InChIKeyAFOASYJNTYSGRS-UHFFFAOYSA-N
XLogP4.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-1-(1-phenylcyclopropyl)ethanone?
The IUPAC name of 2-(3,4-dimethylphenyl)-1-(1-phenylcyclopropyl)ethanone (CID 62880387) is 2-(3,4-dimethylphenyl)-1-(1-phenylcyclopropyl)ethanone.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-1-(1-phenylcyclopropyl)ethanone?
The canonical SMILES for 2-(3,4-dimethylphenyl)-1-(1-phenylcyclopropyl)ethanone is Cc1ccc(CC(=O)C2(c3ccccc3)CC2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-1-(1-phenylcyclopropyl)ethanone?
The InChIKey is AFOASYJNTYSGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O/c1-14-8-9-16(12-15(14)2)13-18(20)19(10-11-19)17-6-4-3-5-7-17/h3-9,12H,10-11,13H2,1-2H3.
What are the key properties of 2-(3,4-dimethylphenyl)-1-(1-phenylcyclopropyl)ethanone?
2-(3,4-dimethylphenyl)-1-(1-phenylcyclopropyl)ethanone has a molecular weight of 264.37 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-1-(1-phenylcyclopropyl)ethanone is sourced from PubChem (CID 62880387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).