methyl 1-(4-methoxy-3,5-dimethylphenyl)-2-methylcyclopropane-1-carboxylate

C15H20O3 — CID 116843031

IUPACmethyl 1-(4-methoxy-3,5-dimethylphenyl)-2-methylcyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2cc(C)c(OC)c(C)c2)CC1C
InChIInChI=1S/C15H20O3/c1-9-6-12(7-10(2)13(9)17-4)15(8-11(15)3)14(16)18-5/h6-7,11H,8H2,1-5H3
InChIKeyXVBFKBOWTVKUAS-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.76
Rot. Bonds3

About methyl 1-(4-methoxy-3,5-dimethylphenyl)-2-methylcyclopropane-1-carboxylate

methyl 1-(4-methoxy-3,5-dimethylphenyl)-2-methylcyclopropane-1-carboxylate (PubChem CID 116843031) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is methyl 1-(4-methoxy-3,5-dimethylphenyl)-2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-methoxy-3,5-dimethylphenyl)-2-methylcyclopropane-1-carboxylate
PubChem CID116843031
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Namemethyl 1-(4-methoxy-3,5-dimethylphenyl)-2-methylcyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2cc(C)c(OC)c(C)c2)CC1C
InChIInChI=1S/C15H20O3/c1-9-6-12(7-10(2)13(9)17-4)15(8-11(15)3)14(16)18-5/h6-7,11H,8H2,1-5H3
InChIKeyXVBFKBOWTVKUAS-UHFFFAOYSA-N
XLogP2.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-methoxy-3,5-dimethylphenyl)-2-methylcyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(4-methoxy-3,5-dimethylphenyl)-2-methylcyclopropane-1-carboxylate (CID 116843031) is methyl 1-(4-methoxy-3,5-dimethylphenyl)-2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(4-methoxy-3,5-dimethylphenyl)-2-methylcyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(4-methoxy-3,5-dimethylphenyl)-2-methylcyclopropane-1-carboxylate is COC(=O)C1(c2cc(C)c(OC)c(C)c2)CC1C.
What is the InChIKey of methyl 1-(4-methoxy-3,5-dimethylphenyl)-2-methylcyclopropane-1-carboxylate?
The InChIKey is XVBFKBOWTVKUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-9-6-12(7-10(2)13(9)17-4)15(8-11(15)3)14(16)18-5/h6-7,11H,8H2,1-5H3.
What are the key properties of methyl 1-(4-methoxy-3,5-dimethylphenyl)-2-methylcyclopropane-1-carboxylate?
methyl 1-(4-methoxy-3,5-dimethylphenyl)-2-methylcyclopropane-1-carboxylate has a molecular weight of 248.32 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-methoxy-3,5-dimethylphenyl)-2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 116843031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).