1-[1-[(2,5-dimethoxyphenyl)methyl]cyclopropyl]ethanone

C14H18O3 — CID 95450370

IUPAC1-[1-[(2,5-dimethoxyphenyl)methyl]cyclopropyl]ethanone
SMILESCOc1ccc(OC)c(CC2(C(C)=O)CC2)c1
InChIInChI=1S/C14H18O3/c1-10(15)14(6-7-14)9-11-8-12(16-2)4-5-13(11)17-3/h4-5,8H,6-7,9H2,1-3H3
InChIKeyUJYDGUIXIDEPGK-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.62
Rot. Bonds5

About 1-[1-[(2,5-dimethoxyphenyl)methyl]cyclopropyl]ethanone

1-[1-[(2,5-dimethoxyphenyl)methyl]cyclopropyl]ethanone (PubChem CID 95450370) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 1-[1-[(2,5-dimethoxyphenyl)methyl]cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[1-[(2,5-dimethoxyphenyl)methyl]cyclopropyl]ethanone
PubChem CID95450370
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name1-[1-[(2,5-dimethoxyphenyl)methyl]cyclopropyl]ethanone
SMILESCOc1ccc(OC)c(CC2(C(C)=O)CC2)c1
InChIInChI=1S/C14H18O3/c1-10(15)14(6-7-14)9-11-8-12(16-2)4-5-13(11)17-3/h4-5,8H,6-7,9H2,1-3H3
InChIKeyUJYDGUIXIDEPGK-UHFFFAOYSA-N
XLogP2.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-[(2,5-dimethoxyphenyl)methyl]cyclopropyl]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-[1-[(5-ethyl-2-methoxyphenyl)methyl]cyclopropyl]ethanone
CID 95448950
3-[(2,5-dimethoxyphenyl)methyl]oxetane-3-carboxylic acid
CID 116930077
(2,5-dimethoxyphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone
CID 116921076
3-(2,5-dimethoxyphenyl)propanoyl chloride
CID 121219721
1-[(2-methoxy-5-methylphenyl)methyl]cyclooctane-1-carboxylic acid
CID 80609485
1-(4-acetylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanone
CID 78821506
(2,5-dimethoxyphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone
CID 116921918
methyl 1-[(2-methoxy-5-propan-2-ylphenyl)methyl]cyclopropane-1-carboxylate
CID 116929798
1-(2,5-dimethoxyphenyl)-3-sulfanylpropan-2-one
CID 58139295
2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 30147939
1-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119705593
4-[(5-bromo-2-methoxyphenyl)methyl]oxane-4-carboxylic acid
CID 62906299

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,5-dimethoxyphenyl)methyl]cyclopropyl]ethanone?
The IUPAC name of 1-[1-[(2,5-dimethoxyphenyl)methyl]cyclopropyl]ethanone (CID 95450370) is 1-[1-[(2,5-dimethoxyphenyl)methyl]cyclopropyl]ethanone.
What is the SMILES notation for 1-[1-[(2,5-dimethoxyphenyl)methyl]cyclopropyl]ethanone?
The canonical SMILES for 1-[1-[(2,5-dimethoxyphenyl)methyl]cyclopropyl]ethanone is COc1ccc(OC)c(CC2(C(C)=O)CC2)c1.
What is the InChIKey of 1-[1-[(2,5-dimethoxyphenyl)methyl]cyclopropyl]ethanone?
The InChIKey is UJYDGUIXIDEPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-10(15)14(6-7-14)9-11-8-12(16-2)4-5-13(11)17-3/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of 1-[1-[(2,5-dimethoxyphenyl)methyl]cyclopropyl]ethanone?
1-[1-[(2,5-dimethoxyphenyl)methyl]cyclopropyl]ethanone has a molecular weight of 234.29 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,5-dimethoxyphenyl)methyl]cyclopropyl]ethanone is sourced from PubChem (CID 95450370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).