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

C14H18O3 — CID 116964011

IUPACmethyl 1-(2-methoxy-4,6-dimethylphenyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2c(C)cc(C)cc2OC)CC1
InChIInChI=1S/C14H18O3/c1-9-7-10(2)12(11(8-9)16-3)14(5-6-14)13(15)17-4/h7-8H,5-6H2,1-4H3
InChIKeyUBHPTUZVNXLWDF-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.52
Rot. Bonds3

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

methyl 1-(2-methoxy-4,6-dimethylphenyl)cyclopropane-1-carboxylate (PubChem CID 116964011) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is methyl 1-(2-methoxy-4,6-dimethylphenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methoxy-4,6-dimethylphenyl)cyclopropane-1-carboxylate
PubChem CID116964011
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Namemethyl 1-(2-methoxy-4,6-dimethylphenyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2c(C)cc(C)cc2OC)CC1
InChIInChI=1S/C14H18O3/c1-9-7-10(2)12(11(8-9)16-3)14(5-6-14)13(15)17-4/h7-8H,5-6H2,1-4H3
InChIKeyUBHPTUZVNXLWDF-UHFFFAOYSA-N
XLogP2.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxy-4,6-dimethylphenyl)oxetane-3-carboxylic acid
CID 116871795
methyl 1-(2,5-dimethoxy-3,4-dimethylphenyl)cyclopropane-1-carboxylate
CID 116964044
methyl 1-(3-methylphenyl)cyclopropane-1-carboxylate
CID 105444214
1-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethylcyclopentan-1-ol
CID 106679681
1-[3-(2-methoxy-4,6-dimethylphenyl)oxetan-3-yl]propan-2-one
CID 116873850
1-(4-hydroxy-2-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid
CID 117344763
1-(2-methoxy-4,6-dimethylphenyl)-2,3-dimethylcyclohexan-1-ol
CID 106679636
methyl 2-acetyl-1-methyl-2-(2,4,6-trimethylphenyl)cyclohexane-1-carboxylate
CID 67669336
ethane;methyl 1-(4-hydroxy-3,5-dimethylphenyl)cyclopropane-1-carboxylate
CID 143988638
methyl 1-(2,3-dimethoxyphenyl)cyclopropane-1-carboxylate
CID 105497539
3-(2-methoxy-4,6-dimethylphenyl)-N-methyloxetan-3-amine
CID 116872794
methyl 1-(5-hydroxy-2-methoxyphenyl)cyclopropane-1-carboxylate
CID 105478906

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methoxy-4,6-dimethylphenyl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(2-methoxy-4,6-dimethylphenyl)cyclopropane-1-carboxylate (CID 116964011) is methyl 1-(2-methoxy-4,6-dimethylphenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(2-methoxy-4,6-dimethylphenyl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(2-methoxy-4,6-dimethylphenyl)cyclopropane-1-carboxylate is COC(=O)C1(c2c(C)cc(C)cc2OC)CC1.
What is the InChIKey of methyl 1-(2-methoxy-4,6-dimethylphenyl)cyclopropane-1-carboxylate?
The InChIKey is UBHPTUZVNXLWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-9-7-10(2)12(11(8-9)16-3)14(5-6-14)13(15)17-4/h7-8H,5-6H2,1-4H3.
What are the key properties of methyl 1-(2-methoxy-4,6-dimethylphenyl)cyclopropane-1-carboxylate?
methyl 1-(2-methoxy-4,6-dimethylphenyl)cyclopropane-1-carboxylate has a molecular weight of 234.29 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methoxy-4,6-dimethylphenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 116964011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).