methyl 2-[2-(2,5-dimethoxyphenyl)ethyl]cyclopropane-1-carboxylate

C15H20O4 — CID 83938289

IUPACmethyl 2-[2-(2,5-dimethoxyphenyl)ethyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1CCc1cc(OC)ccc1OC
InChIInChI=1S/C15H20O4/c1-17-12-6-7-14(18-2)11(8-12)5-4-10-9-13(10)15(16)19-3/h6-8,10,13H,4-5,9H2,1-3H3
InChIKeyDMFBBUFGCRKWGD-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.45
Rot. Bonds6

About methyl 2-[2-(2,5-dimethoxyphenyl)ethyl]cyclopropane-1-carboxylate

methyl 2-[2-(2,5-dimethoxyphenyl)ethyl]cyclopropane-1-carboxylate (PubChem CID 83938289) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 2-[2-(2,5-dimethoxyphenyl)ethyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(2,5-dimethoxyphenyl)ethyl]cyclopropane-1-carboxylate
PubChem CID83938289
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Namemethyl 2-[2-(2,5-dimethoxyphenyl)ethyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1CCc1cc(OC)ccc1OC
InChIInChI=1S/C15H20O4/c1-17-12-6-7-14(18-2)11(8-12)5-4-10-9-13(10)15(16)19-3/h6-8,10,13H,4-5,9H2,1-3H3
InChIKeyDMFBBUFGCRKWGD-UHFFFAOYSA-N
XLogP2.45
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-(5-chloro-2,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxylate
CID 83943377
3-(2,5-dimethoxyphenyl)propanoyl chloride
CID 121219721
2-(2,5-dimethoxyphenyl)ethyl carbamate
CID 175601601
4-[3-(2,5-dimethoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119230134
methyl 2-[2-(4-pentoxyphenyl)ethyl]cyclopropane-1-carboxylate
CID 83932635
1-(2,5-dimethoxyphenyl)-4,4-dimethylpentan-3-one
CID 64503606
N-(1-adamantylmethyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 46563293
N-cycloheptyl-2-(2,5-dimethoxyphenyl)acetamide
CID 7580886
N-cyclopentyl-2-(2,4-dimethoxyphenyl)acetamide
CID 17474203
4-(2,5-dimethoxyphenyl)butanehydrazide
CID 116843562
4-[2-(2,5-dimethoxyphenyl)ethylamino]butan-2-one
CID 115235884
2-(2,5-dimethoxyphenyl)-N-methoxyacetamide
CID 78829398

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2,5-dimethoxyphenyl)ethyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 2-[2-(2,5-dimethoxyphenyl)ethyl]cyclopropane-1-carboxylate (CID 83938289) is methyl 2-[2-(2,5-dimethoxyphenyl)ethyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-[2-(2,5-dimethoxyphenyl)ethyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-[2-(2,5-dimethoxyphenyl)ethyl]cyclopropane-1-carboxylate is COC(=O)C1CC1CCc1cc(OC)ccc1OC.
What is the InChIKey of methyl 2-[2-(2,5-dimethoxyphenyl)ethyl]cyclopropane-1-carboxylate?
The InChIKey is DMFBBUFGCRKWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-17-12-6-7-14(18-2)11(8-12)5-4-10-9-13(10)15(16)19-3/h6-8,10,13H,4-5,9H2,1-3H3.
What are the key properties of methyl 2-[2-(2,5-dimethoxyphenyl)ethyl]cyclopropane-1-carboxylate?
methyl 2-[2-(2,5-dimethoxyphenyl)ethyl]cyclopropane-1-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2,5-dimethoxyphenyl)ethyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 83938289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).