methyl 2-[2-(3,5-dimethyl-2-propoxyphenyl)ethyl]cyclopropane-1-carboxylate

C18H26O3 — CID 83942262

IUPACmethyl 2-[2-(3,5-dimethyl-2-propoxyphenyl)ethyl]cyclopropane-1-carboxylate
SMILESCCCOc1c(C)cc(C)cc1CCC1CC1C(=O)OC
InChIInChI=1S/C18H26O3/c1-5-8-21-17-13(3)9-12(2)10-15(17)7-6-14-11-16(14)18(19)20-4/h9-10,14,16H,5-8,11H2,1-4H3
InChIKeyGQGKBLLBGFCSFO-UHFFFAOYSA-N
MW290.40 g/mol
LogP3.83
Rot. Bonds7

About methyl 2-[2-(3,5-dimethyl-2-propoxyphenyl)ethyl]cyclopropane-1-carboxylate

methyl 2-[2-(3,5-dimethyl-2-propoxyphenyl)ethyl]cyclopropane-1-carboxylate (PubChem CID 83942262) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is methyl 2-[2-(3,5-dimethyl-2-propoxyphenyl)ethyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(3,5-dimethyl-2-propoxyphenyl)ethyl]cyclopropane-1-carboxylate
PubChem CID83942262
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Namemethyl 2-[2-(3,5-dimethyl-2-propoxyphenyl)ethyl]cyclopropane-1-carboxylate
SMILESCCCOc1c(C)cc(C)cc1CCC1CC1C(=O)OC
InChIInChI=1S/C18H26O3/c1-5-8-21-17-13(3)9-12(2)10-15(17)7-6-14-11-16(14)18(19)20-4/h9-10,14,16H,5-8,11H2,1-4H3
InChIKeyGQGKBLLBGFCSFO-UHFFFAOYSA-N
XLogP3.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]cyclopropane-1-carboxylate
CID 83940906
3-(3,5-dimethyl-2-propoxyphenyl)propanoic acid
CID 82053234
methyl 2-[2-(3-methoxy-4-propoxyphenyl)ethyl]cyclopropane-1-carboxylate
CID 83938540
5-(3,5-dimethyl-2-propoxyphenyl)pentan-2-one
CID 83942149
2-[2-(3,5-dimethyl-2-propoxyphenyl)ethyl]-3-methyloxirane
CID 83942245
2-(3,5-dimethyl-2-propoxyphenyl)ethanamine
CID 82053274
methyl 2-[2-(5-chloro-2,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxylate
CID 83943377
methyl 2-[2-(4-pentoxyphenyl)ethyl]cyclopropane-1-carboxylate
CID 83932635
1-(3,5-dimethyl-2-propoxyphenyl)hexane-3,4-diol
CID 83942267
methyl 2-[2-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]propyl]cyclopropane-1-carboxylate
CID 83942400
trans-methyl (1R,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate
CID 13005722
methyl 2-[2-(5-methyl-2-propoxyphenyl)propyl]cyclopropane-1-carboxylate
CID 83933599

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(3,5-dimethyl-2-propoxyphenyl)ethyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 2-[2-(3,5-dimethyl-2-propoxyphenyl)ethyl]cyclopropane-1-carboxylate (CID 83942262) is methyl 2-[2-(3,5-dimethyl-2-propoxyphenyl)ethyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-[2-(3,5-dimethyl-2-propoxyphenyl)ethyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-[2-(3,5-dimethyl-2-propoxyphenyl)ethyl]cyclopropane-1-carboxylate is CCCOc1c(C)cc(C)cc1CCC1CC1C(=O)OC.
What is the InChIKey of methyl 2-[2-(3,5-dimethyl-2-propoxyphenyl)ethyl]cyclopropane-1-carboxylate?
The InChIKey is GQGKBLLBGFCSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-5-8-21-17-13(3)9-12(2)10-15(17)7-6-14-11-16(14)18(19)20-4/h9-10,14,16H,5-8,11H2,1-4H3.
What are the key properties of methyl 2-[2-(3,5-dimethyl-2-propoxyphenyl)ethyl]cyclopropane-1-carboxylate?
methyl 2-[2-(3,5-dimethyl-2-propoxyphenyl)ethyl]cyclopropane-1-carboxylate has a molecular weight of 290.40 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(3,5-dimethyl-2-propoxyphenyl)ethyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 83942262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).