methyl 2-methyl-1-(2-methylphenyl)cyclopropane-1-carboxylate

C13H16O2 — CID 116843020

IUPACmethyl 2-methyl-1-(2-methylphenyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2ccccc2C)CC1C
InChIInChI=1S/C13H16O2/c1-9-6-4-5-7-11(9)13(8-10(13)2)12(14)15-3/h4-7,10H,8H2,1-3H3
InChIKeyCRQMNKSEOKOQJS-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.45
Rot. Bonds2

About methyl 2-methyl-1-(2-methylphenyl)cyclopropane-1-carboxylate

methyl 2-methyl-1-(2-methylphenyl)cyclopropane-1-carboxylate (PubChem CID 116843020) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is methyl 2-methyl-1-(2-methylphenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-1-(2-methylphenyl)cyclopropane-1-carboxylate
PubChem CID116843020
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Namemethyl 2-methyl-1-(2-methylphenyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2ccccc2C)CC1C
InChIInChI=1S/C13H16O2/c1-9-6-4-5-7-11(9)13(8-10(13)2)12(14)15-3/h4-7,10H,8H2,1-3H3
InChIKeyCRQMNKSEOKOQJS-UHFFFAOYSA-N
XLogP2.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-1-(2-methylphenyl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 2-methyl-1-(2-methylphenyl)cyclopropane-1-carboxylate (CID 116843020) is methyl 2-methyl-1-(2-methylphenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-methyl-1-(2-methylphenyl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-methyl-1-(2-methylphenyl)cyclopropane-1-carboxylate is COC(=O)C1(c2ccccc2C)CC1C.
What is the InChIKey of methyl 2-methyl-1-(2-methylphenyl)cyclopropane-1-carboxylate?
The InChIKey is CRQMNKSEOKOQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-9-6-4-5-7-11(9)13(8-10(13)2)12(14)15-3/h4-7,10H,8H2,1-3H3.
What are the key properties of methyl 2-methyl-1-(2-methylphenyl)cyclopropane-1-carboxylate?
methyl 2-methyl-1-(2-methylphenyl)cyclopropane-1-carboxylate has a molecular weight of 204.27 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-1-(2-methylphenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 116843020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).