1-cyclopropyl-2-(2,6-dimethoxyphenoxy)ethanone

C13H16O4 — CID 63914428

IUPAC1-cyclopropyl-2-(2,6-dimethoxyphenoxy)ethanone
SMILESCOc1cccc(OC)c1OCC(=O)C1CC1
InChIInChI=1S/C13H16O4/c1-15-11-4-3-5-12(16-2)13(11)17-8-10(14)9-6-7-9/h3-5,9H,6-8H2,1-2H3
InChIKeySLAQXDQZYXQQDW-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.06
Rot. Bonds6

About 1-cyclopropyl-2-(2,6-dimethoxyphenoxy)ethanone

1-cyclopropyl-2-(2,6-dimethoxyphenoxy)ethanone (PubChem CID 63914428) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2,6-dimethoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-(2,6-dimethoxyphenoxy)ethanone
PubChem CID63914428
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name1-cyclopropyl-2-(2,6-dimethoxyphenoxy)ethanone
SMILESCOc1cccc(OC)c1OCC(=O)C1CC1
InChIInChI=1S/C13H16O4/c1-15-11-4-3-5-12(16-2)13(11)17-8-10(14)9-6-7-9/h3-5,9H,6-8H2,1-2H3
InChIKeySLAQXDQZYXQQDW-UHFFFAOYSA-N
XLogP2.06
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-2-(2-methoxyphenoxy)ethanone
CID 63914033
2-(4-bromo-2-methoxyphenoxy)-1-cyclopropylethanone
CID 58579838
4-(2-cyclopropyl-2-oxoethoxy)-3-methoxybenzonitrile
CID 63903452
1-cyclopropyl-2-(2-fluorophenoxy)ethanone
CID 63913814
2-(2-cyclopropyl-2-oxoethoxy)benzamide
CID 63913562
N-cyclopropyl-2-(2,3-dimethoxyphenoxy)acetamide
CID 112978329
1-cyclohexyl-2-(2-fluoro-3-methylphenoxy)ethanone
CID 103988434
1-(4-bromophenyl)-2-(2,6-dimethoxyphenoxy)ethanone
CID 43799628
1-cyclohexyl-2-(2,3-dichlorophenoxy)ethanone
CID 115578570
2-(4-chloronaphthalen-1-yl)oxy-1-cyclopropylethanone
CID 63905355
1-cyclobutyl-2-(2-methoxyphenyl)ethanone
CID 61079535
2-[2-[(cyclopentylamino)methyl]-6-methoxyphenoxy]acetic acid
CID 102535746

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(2,6-dimethoxyphenoxy)ethanone?
The IUPAC name of 1-cyclopropyl-2-(2,6-dimethoxyphenoxy)ethanone (CID 63914428) is 1-cyclopropyl-2-(2,6-dimethoxyphenoxy)ethanone.
What is the SMILES notation for 1-cyclopropyl-2-(2,6-dimethoxyphenoxy)ethanone?
The canonical SMILES for 1-cyclopropyl-2-(2,6-dimethoxyphenoxy)ethanone is COc1cccc(OC)c1OCC(=O)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(2,6-dimethoxyphenoxy)ethanone?
The InChIKey is SLAQXDQZYXQQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-15-11-4-3-5-12(16-2)13(11)17-8-10(14)9-6-7-9/h3-5,9H,6-8H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-(2,6-dimethoxyphenoxy)ethanone?
1-cyclopropyl-2-(2,6-dimethoxyphenoxy)ethanone has a molecular weight of 236.27 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2,6-dimethoxyphenoxy)ethanone is sourced from PubChem (CID 63914428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).