1-[2-(2-cyclopropylethoxy)-6-methoxyphenyl]ethanone

C14H18O3 — CID 106202167

IUPAC1-[2-(2-cyclopropylethoxy)-6-methoxyphenyl]ethanone
SMILESCOc1cccc(OCCC2CC2)c1C(C)=O
InChIInChI=1S/C14H18O3/c1-10(15)14-12(16-2)4-3-5-13(14)17-9-8-11-6-7-11/h3-5,11H,6-9H2,1-2H3
InChIKeyIORLECKUFDOLQD-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.08
Rot. Bonds6

About 1-[2-(2-cyclopropylethoxy)-6-methoxyphenyl]ethanone

1-[2-(2-cyclopropylethoxy)-6-methoxyphenyl]ethanone (PubChem CID 106202167) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[2-(2-cyclopropylethoxy)-6-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[2-(2-cyclopropylethoxy)-6-methoxyphenyl]ethanone
PubChem CID106202167
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name1-[2-(2-cyclopropylethoxy)-6-methoxyphenyl]ethanone
SMILESCOc1cccc(OCCC2CC2)c1C(C)=O
InChIInChI=1S/C14H18O3/c1-10(15)14-12(16-2)4-3-5-13(14)17-9-8-11-6-7-11/h3-5,11H,6-9H2,1-2H3
InChIKeyIORLECKUFDOLQD-UHFFFAOYSA-N
XLogP3.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-methoxy-6-(2-propoxyethoxy)phenyl]ethanone
CID 113388904
1-[2-(2-cyclopropylethyl)-6-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 71146282
(1R)-1-[2-(2-cyclopropylethoxy)-6-methoxyphenyl]ethanamine
CID 114157550
3-(2-cyclopropylethoxy)-2-methylbenzoic acid
CID 82827361
1-[2,6-bis(hydroxymethoxy)phenyl]ethanone
CID 69072315
1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethanone
CID 117314118
(2-acetyl-3-methoxyphenyl) acetate
CID 15090735
5-(2-cyclopropylethoxy)-4-methoxypyridine-2-carboxylic acid
CID 138674847
1-[3-bromo-4-(2-cyclopropylethoxy)phenyl]ethanone
CID 106202171
1-[6-(2-cyclopropylethoxy)-3-pyridinyl]ethanone
CID 106202164
1-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]ethanone
CID 53150747
1-[2-(4-ethylpiperidin-1-yl)-6-methoxyphenyl]ethanone
CID 113388848

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-cyclopropylethoxy)-6-methoxyphenyl]ethanone?
The IUPAC name of 1-[2-(2-cyclopropylethoxy)-6-methoxyphenyl]ethanone (CID 106202167) is 1-[2-(2-cyclopropylethoxy)-6-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[2-(2-cyclopropylethoxy)-6-methoxyphenyl]ethanone?
The canonical SMILES for 1-[2-(2-cyclopropylethoxy)-6-methoxyphenyl]ethanone is COc1cccc(OCCC2CC2)c1C(C)=O.
What is the InChIKey of 1-[2-(2-cyclopropylethoxy)-6-methoxyphenyl]ethanone?
The InChIKey is IORLECKUFDOLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-10(15)14-12(16-2)4-3-5-13(14)17-9-8-11-6-7-11/h3-5,11H,6-9H2,1-2H3.
What are the key properties of 1-[2-(2-cyclopropylethoxy)-6-methoxyphenyl]ethanone?
1-[2-(2-cyclopropylethoxy)-6-methoxyphenyl]ethanone has a molecular weight of 234.30 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-cyclopropylethoxy)-6-methoxyphenyl]ethanone is sourced from PubChem (CID 106202167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).