1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethanone

C13H16O3 — CID 117314118

IUPAC1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethanone
SMILESCOc1cccc(C(C)=O)c1OCC1CC1
InChIInChI=1S/C13H16O3/c1-9(14)11-4-3-5-12(15-2)13(11)16-8-10-6-7-10/h3-5,10H,6-8H2,1-2H3
InChIKeyKMQMVKTYWWFUAC-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.69
Rot. Bonds5

About 1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethanone

1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethanone (PubChem CID 117314118) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethanone
PubChem CID117314118
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethanone
SMILESCOc1cccc(C(C)=O)c1OCC1CC1
InChIInChI=1S/C13H16O3/c1-9(14)11-4-3-5-12(15-2)13(11)16-8-10-6-7-10/h3-5,10H,6-8H2,1-2H3
InChIKeyKMQMVKTYWWFUAC-UHFFFAOYSA-N
XLogP2.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-chloro-2-(cyclopropylmethoxy)phenyl]ethanone
CID 84689440
[2-(cyclopropylmethoxy)-3-methoxyphenyl]methanol
CID 43560490
ethyl 2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]-2-hydroxyacetate
CID 117449897
N-[[2-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]ethanamine
CID 43560143
1-[3-methoxy-2-(1H-pyrrol-2-ylmethoxy)phenyl]ethanone
CID 117052400
2-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methoxybenzoic acid
CID 43471767
1-[3-methoxy-2-[(2-methylpropan-2-yl)oxy]phenyl]ethanone
CID 117052369
tert-butyl 4-[(2-ethoxycarbonyl-6-methoxyphenoxy)methyl]piperidine-1-carboxylate
CID 141098880
1-[2-(2-cyclopropylethoxy)-6-methoxyphenyl]ethanone
CID 106202167
2-(cyclohexylmethoxy)-3-methoxybenzaldehyde
CID 43471351
[1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]cyclopropyl]methanamine
CID 117371168
6-bromo-2-(cyclopropylmethoxy)-3-methoxybenzoic acid
CID 117484659

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethanone?
The IUPAC name of 1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethanone (CID 117314118) is 1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethanone?
The canonical SMILES for 1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethanone is COc1cccc(C(C)=O)c1OCC1CC1.
What is the InChIKey of 1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethanone?
The InChIKey is KMQMVKTYWWFUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-9(14)11-4-3-5-12(15-2)13(11)16-8-10-6-7-10/h3-5,10H,6-8H2,1-2H3.
What are the key properties of 1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethanone?
1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethanone has a molecular weight of 220.27 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethanone is sourced from PubChem (CID 117314118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).