2-[(2-methylpropan-2-yl)oxy]-1-(3-propan-2-yloxyphenyl)ethanone

C15H22O3 — CID 105120452

IUPAC2-[(2-methylpropan-2-yl)oxy]-1-(3-propan-2-yloxyphenyl)ethanone
SMILESCC(C)Oc1cccc(C(=O)COC(C)(C)C)c1
InChIInChI=1S/C15H22O3/c1-11(2)18-13-8-6-7-12(9-13)14(16)10-17-15(3,4)5/h6-9,11H,10H2,1-5H3
InChIKeyBADFMWQSDHNMLL-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.47
Rot. Bonds5

About 2-[(2-methylpropan-2-yl)oxy]-1-(3-propan-2-yloxyphenyl)ethanone

2-[(2-methylpropan-2-yl)oxy]-1-(3-propan-2-yloxyphenyl)ethanone (PubChem CID 105120452) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-1-(3-propan-2-yloxyphenyl)ethanone.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-1-(3-propan-2-yloxyphenyl)ethanone
PubChem CID105120452
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-1-(3-propan-2-yloxyphenyl)ethanone
SMILESCC(C)Oc1cccc(C(=O)COC(C)(C)C)c1
InChIInChI=1S/C15H22O3/c1-11(2)18-13-8-6-7-12(9-13)14(16)10-17-15(3,4)5/h6-9,11H,10H2,1-5H3
InChIKeyBADFMWQSDHNMLL-UHFFFAOYSA-N
XLogP3.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-1-(3-propan-2-yloxyphenyl)pentan-1-one
CID 114970108
3-amino-1-(3-propan-2-yloxyphenyl)butan-1-one
CID 116555955
3-methylsulfonyl-1-(3-propan-2-yloxyphenyl)propan-1-one
CID 114969685
1-(3-propan-2-yloxyphenyl)but-3-en-1-one
CID 116659453
4-bromo-1-(3-propan-2-yloxyphenyl)butan-1-one
CID 146007117
4-oxo-4-(3-propan-2-yloxyphenyl)butanenitrile
CID 61213015
2-ethoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-one
CID 116709920
N-propan-2-yl-3-propan-2-yloxybenzamide
CID 8779048
2-hydroxy-1-(3-propan-2-yloxyphenyl)butan-1-one
CID 103453162
3-(2,2-difluoroethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-one
CID 103147048
2-(3-propan-2-yloxyphenyl)prop-2-en-1-ol
CID 118140907
butan-2-yl 3-propan-2-yloxybenzoate
CID 82186277

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-1-(3-propan-2-yloxyphenyl)ethanone?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-1-(3-propan-2-yloxyphenyl)ethanone (CID 105120452) is 2-[(2-methylpropan-2-yl)oxy]-1-(3-propan-2-yloxyphenyl)ethanone.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-1-(3-propan-2-yloxyphenyl)ethanone?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-1-(3-propan-2-yloxyphenyl)ethanone is CC(C)Oc1cccc(C(=O)COC(C)(C)C)c1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-1-(3-propan-2-yloxyphenyl)ethanone?
The InChIKey is BADFMWQSDHNMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-11(2)18-13-8-6-7-12(9-13)14(16)10-17-15(3,4)5/h6-9,11H,10H2,1-5H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-1-(3-propan-2-yloxyphenyl)ethanone?
2-[(2-methylpropan-2-yl)oxy]-1-(3-propan-2-yloxyphenyl)ethanone has a molecular weight of 250.34 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-1-(3-propan-2-yloxyphenyl)ethanone is sourced from PubChem (CID 105120452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).