2-[(2-methylpropan-2-yl)oxy]-1-(2-phenylcyclopropyl)ethanone

C15H20O2 — CID 105134784

IUPAC2-[(2-methylpropan-2-yl)oxy]-1-(2-phenylcyclopropyl)ethanone
SMILESCC(C)(C)OCC(=O)C1CC1c1ccccc1
InChIInChI=1S/C15H20O2/c1-15(2,3)17-10-14(16)13-9-12(13)11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3
InChIKeyFDNMFZPAGCRTIA-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.17
Rot. Bonds4

About 2-[(2-methylpropan-2-yl)oxy]-1-(2-phenylcyclopropyl)ethanone

2-[(2-methylpropan-2-yl)oxy]-1-(2-phenylcyclopropyl)ethanone (PubChem CID 105134784) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-1-(2-phenylcyclopropyl)ethanone.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-1-(2-phenylcyclopropyl)ethanone
PubChem CID105134784
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-1-(2-phenylcyclopropyl)ethanone
SMILESCC(C)(C)OCC(=O)C1CC1c1ccccc1
InChIInChI=1S/C15H20O2/c1-15(2,3)17-10-14(16)13-9-12(13)11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3
InChIKeyFDNMFZPAGCRTIA-UHFFFAOYSA-N
XLogP3.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-1-(2-phenylcyclopropyl)ethanone?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-1-(2-phenylcyclopropyl)ethanone (CID 105134784) is 2-[(2-methylpropan-2-yl)oxy]-1-(2-phenylcyclopropyl)ethanone.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-1-(2-phenylcyclopropyl)ethanone?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-1-(2-phenylcyclopropyl)ethanone is CC(C)(C)OCC(=O)C1CC1c1ccccc1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-1-(2-phenylcyclopropyl)ethanone?
The InChIKey is FDNMFZPAGCRTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-15(2,3)17-10-14(16)13-9-12(13)11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-1-(2-phenylcyclopropyl)ethanone?
2-[(2-methylpropan-2-yl)oxy]-1-(2-phenylcyclopropyl)ethanone has a molecular weight of 232.32 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-1-(2-phenylcyclopropyl)ethanone is sourced from PubChem (CID 105134784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).