methyl 2-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]cyclopropane-1-carboxylate

C17H24O3 — CID 83940906

IUPACmethyl 2-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]cyclopropane-1-carboxylate
SMILESCCOc1cc(C)c(CCC2CC2C(=O)OC)cc1C
InChIInChI=1S/C17H24O3/c1-5-20-16-9-11(2)13(8-12(16)3)6-7-14-10-15(14)17(18)19-4/h8-9,14-15H,5-7,10H2,1-4H3
InChIKeyVMLIRUGDAMVGQW-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.44
Rot. Bonds6

About methyl 2-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]cyclopropane-1-carboxylate

methyl 2-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]cyclopropane-1-carboxylate (PubChem CID 83940906) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is methyl 2-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]cyclopropane-1-carboxylate
PubChem CID83940906
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Namemethyl 2-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]cyclopropane-1-carboxylate
SMILESCCOc1cc(C)c(CCC2CC2C(=O)OC)cc1C
InChIInChI=1S/C17H24O3/c1-5-20-16-9-11(2)13(8-12(16)3)6-7-14-10-15(14)17(18)19-4/h8-9,14-15H,5-7,10H2,1-4H3
InChIKeyVMLIRUGDAMVGQW-UHFFFAOYSA-N
XLogP3.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-(5-chloro-2,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxylate
CID 83943377
1-ethoxy-4-ethyl-2,5-dimethylbenzene
CID 84761080
2-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]-3-methyloxirane
CID 83940889
ethyl 4-(4-ethoxy-2,5-dimethylphenyl)butanoate
CID 82350381
methyl 2-[2-(4-methoxy-2,5-dimethylphenyl)propyl]cyclopropane-1-carboxylate
CID 83927871
ethyl N-[(4-ethoxy-2,5-dimethylphenyl)methyl]carbamate
CID 110780864
methyl 2-[2-(4-ethoxy-2-methylphenyl)propyl]cyclopropane-1-carboxylate
CID 83936699
methyl 2-(2-pyridin-4-ylethyl)cyclopropane-1-carboxylate
CID 83929935
N-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110795340
trans-methyl (1R,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate
CID 13005722
2-[2-[2-ethoxy-5-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxylic acid
CID 83921264
methyl 2-[2-(4-ethoxy-3-methoxyphenyl)propyl]cyclopropane-1-carboxylate
CID 83938424

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 2-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]cyclopropane-1-carboxylate (CID 83940906) is methyl 2-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]cyclopropane-1-carboxylate is CCOc1cc(C)c(CCC2CC2C(=O)OC)cc1C.
What is the InChIKey of methyl 2-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]cyclopropane-1-carboxylate?
The InChIKey is VMLIRUGDAMVGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-5-20-16-9-11(2)13(8-12(16)3)6-7-14-10-15(14)17(18)19-4/h8-9,14-15H,5-7,10H2,1-4H3.
What are the key properties of methyl 2-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]cyclopropane-1-carboxylate?
methyl 2-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]cyclopropane-1-carboxylate has a molecular weight of 276.38 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 83940906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).