methyl 2-[2-(4-methoxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylate

C18H26O3 — CID 83940165

IUPACmethyl 2-[2-(4-methoxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylate
SMILESCCC(CC1CC1C(=O)OC)c1c(C)cc(OC)cc1C
InChIInChI=1S/C18H26O3/c1-6-13(9-14-10-16(14)18(19)21-5)17-11(2)7-15(20-4)8-12(17)3/h7-8,13-14,16H,6,9-10H2,1-5H3
InChIKeyUCZVIACSFWTHGZ-UHFFFAOYSA-N
MW290.40 g/mol
LogP4.00
Rot. Bonds6

About methyl 2-[2-(4-methoxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylate

methyl 2-[2-(4-methoxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylate (PubChem CID 83940165) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is methyl 2-[2-(4-methoxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(4-methoxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylate
PubChem CID83940165
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Namemethyl 2-[2-(4-methoxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylate
SMILESCCC(CC1CC1C(=O)OC)c1c(C)cc(OC)cc1C
InChIInChI=1S/C18H26O3/c1-6-13(9-14-10-16(14)18(19)21-5)17-11(2)7-15(20-4)8-12(17)3/h7-8,13-14,16H,6,9-10H2,1-5H3
InChIKeyUCZVIACSFWTHGZ-UHFFFAOYSA-N
XLogP4.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-(4-hydroxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylate
CID 83923519
methyl 2-[2-(2,6-dichlorophenyl)butyl]cyclopropane-1-carboxylate
CID 83924997
methyl 2-[2-(5-bromo-2-fluorophenyl)butyl]cyclopropane-1-carboxylate
CID 83933943
methyl 2-[2-(4-ethoxy-2-methylphenyl)propyl]cyclopropane-1-carboxylate
CID 83936699
methyl 2-[2-[2-(2-methylpropoxy)phenyl]butyl]cyclopropane-1-carboxylate
CID 83932519
methyl 2-[2-(4-methoxy-2,5-dimethylphenyl)propyl]cyclopropane-1-carboxylate
CID 83927871
methyl 2-[2-(5-chloro-2-methoxy-3,6-dimethylphenyl)propyl]cyclopropane-1-carboxylate
CID 83940553
methyl 2-[2-(2-methoxyphenyl)propyl]cyclopropane-1-carboxylate
CID 83929095
cis-methyl (1R,2R)-2-[(3-amino-5-methoxyphenoxy)methyl]cyclopropane-1-carboxylate
CID 142476791
methyl 2-[2-(4-ethoxy-3-methoxyphenyl)propyl]cyclopropane-1-carboxylate
CID 83938424
methyl 2-[2-(5-tert-butyl-2-methylphenyl)propyl]cyclopropane-1-carboxylate
CID 83935426
2-[2-(2,5-dimethylphenyl)butyl]cyclopropane-1-carboxylic acid
CID 83928197

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-methoxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 2-[2-(4-methoxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylate (CID 83940165) is methyl 2-[2-(4-methoxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-[2-(4-methoxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-[2-(4-methoxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylate is CCC(CC1CC1C(=O)OC)c1c(C)cc(OC)cc1C.
What is the InChIKey of methyl 2-[2-(4-methoxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylate?
The InChIKey is UCZVIACSFWTHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-6-13(9-14-10-16(14)18(19)21-5)17-11(2)7-15(20-4)8-12(17)3/h7-8,13-14,16H,6,9-10H2,1-5H3.
What are the key properties of methyl 2-[2-(4-methoxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylate?
methyl 2-[2-(4-methoxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylate has a molecular weight of 290.40 g/mol, XLogP of 4.00, 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-methoxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 83940165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).