2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-phenylpropan-1-one

C15H22O3 — CID 112588356

IUPAC2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-phenylpropan-1-one
SMILESCC(OCCOC(C)(C)C)C(=O)c1ccccc1
InChIInChI=1S/C15H22O3/c1-12(17-10-11-18-15(2,3)4)14(16)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3
InChIKeyKAHOTOJODQSXDW-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.09
Rot. Bonds6

About 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-phenylpropan-1-one

2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-phenylpropan-1-one (PubChem CID 112588356) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-phenylpropan-1-one
PubChem CID112588356
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-phenylpropan-1-one
SMILESCC(OCCOC(C)(C)C)C(=O)c1ccccc1
InChIInChI=1S/C15H22O3/c1-12(17-10-11-18-15(2,3)4)14(16)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3
InChIKeyKAHOTOJODQSXDW-UHFFFAOYSA-N
XLogP3.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Hydroxy-2-methyl-1-phenylpropan-1-one
CID 81984
alpha-Hydroxyacetophenone
CID 68490
2,2-Diethoxyacetophenone
CID 22555
Ethyl benzoylformate
CID 15349
Methyl phenylglyoxalate
CID 84835
Benzoin ethyl ether
CID 101778
Ethanone, 2-(acetyloxy)-1-phenyl-
CID 222851
Ethanone, 2-(1-methylethoxy)-1,2-diphenyl-
CID 110912
Pibecarb
CID 71114
(Oxirane-2,3-diyl)bis(phenylmethanone)
CID 20502
2-Hydroxy-1-phenyl-1-propanone
CID 101121
2-Methoxy-1-phenylethanone
CID 77698

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-phenylpropan-1-one?
The IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-phenylpropan-1-one (CID 112588356) is 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-phenylpropan-1-one.
What is the SMILES notation for 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-phenylpropan-1-one?
The canonical SMILES for 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-phenylpropan-1-one is CC(OCCOC(C)(C)C)C(=O)c1ccccc1.
What is the InChIKey of 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-phenylpropan-1-one?
The InChIKey is KAHOTOJODQSXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-12(17-10-11-18-15(2,3)4)14(16)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3.
What are the key properties of 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-phenylpropan-1-one?
2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-phenylpropan-1-one has a molecular weight of 250.34 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-phenylpropan-1-one is sourced from PubChem (CID 112588356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).