1-cyclopropyl-2-(2-methoxyphenoxy)ethanone

C12H14O3 — CID 63914033

IUPAC1-cyclopropyl-2-(2-methoxyphenoxy)ethanone
SMILESCOc1ccccc1OCC(=O)C1CC1
InChIInChI=1S/C12H14O3/c1-14-11-4-2-3-5-12(11)15-8-10(13)9-6-7-9/h2-5,9H,6-8H2,1H3
InChIKeyLROJBASMMPRWMX-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.05
Rot. Bonds5

About 1-cyclopropyl-2-(2-methoxyphenoxy)ethanone

1-cyclopropyl-2-(2-methoxyphenoxy)ethanone (PubChem CID 63914033) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2-methoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-(2-methoxyphenoxy)ethanone
PubChem CID63914033
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name1-cyclopropyl-2-(2-methoxyphenoxy)ethanone
SMILESCOc1ccccc1OCC(=O)C1CC1
InChIInChI=1S/C12H14O3/c1-14-11-4-2-3-5-12(11)15-8-10(13)9-6-7-9/h2-5,9H,6-8H2,1H3
InChIKeyLROJBASMMPRWMX-UHFFFAOYSA-N
XLogP2.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-2-(2,6-dimethoxyphenoxy)ethanone
CID 63914428
2-(2-cyclopropyl-2-oxoethoxy)benzamide
CID 63913562
2-(4-bromo-2-methoxyphenoxy)-1-cyclopropylethanone
CID 58579838
4-(2-cyclopropyl-2-oxoethoxy)-3-methoxybenzonitrile
CID 63903452
[(1R,2R)-2-methoxycyclopentyl] 2-(2-methoxyphenoxy)acetate
CID 96523723
1-cyclopentyl-2-(2-propan-2-ylphenoxy)ethanone
CID 104751801
2-(2-bromophenoxy)-1-cyclohexylethanone
CID 115578561
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 60843698
N,N-dicyclohexyl-2-(2-methoxyphenoxy)acetamide
CID 717645
1-cyclohexyl-2-(2-methylsulfanylphenoxy)ethanone
CID 104752083
1-cyclopentyl-2-[2-[(E)-prop-1-enyl]phenoxy]ethanone
CID 113449018
1-cyclobutyl-2-(2-methoxyphenyl)ethanone
CID 61079535

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(2-methoxyphenoxy)ethanone?
The IUPAC name of 1-cyclopropyl-2-(2-methoxyphenoxy)ethanone (CID 63914033) is 1-cyclopropyl-2-(2-methoxyphenoxy)ethanone.
What is the SMILES notation for 1-cyclopropyl-2-(2-methoxyphenoxy)ethanone?
The canonical SMILES for 1-cyclopropyl-2-(2-methoxyphenoxy)ethanone is COc1ccccc1OCC(=O)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(2-methoxyphenoxy)ethanone?
The InChIKey is LROJBASMMPRWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-14-11-4-2-3-5-12(11)15-8-10(13)9-6-7-9/h2-5,9H,6-8H2,1H3.
What are the key properties of 1-cyclopropyl-2-(2-methoxyphenoxy)ethanone?
1-cyclopropyl-2-(2-methoxyphenoxy)ethanone has a molecular weight of 206.24 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2-methoxyphenoxy)ethanone is sourced from PubChem (CID 63914033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).