methyl 2-[2-(2,6-dichlorophenyl)butyl]cyclopropane-1-carboxylate

C15H18Cl2O2 — CID 83924997

IUPACmethyl 2-[2-(2,6-dichlorophenyl)butyl]cyclopropane-1-carboxylate
SMILESCCC(CC1CC1C(=O)OC)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H18Cl2O2/c1-3-9(7-10-8-11(10)15(18)19-2)14-12(16)5-4-6-13(14)17/h4-6,9-11H,3,7-8H2,1-2H3
InChIKeyLVMYQJOLPOEWBY-UHFFFAOYSA-N
MW301.21 g/mol
LogP4.69
Rot. Bonds5

About methyl 2-[2-(2,6-dichlorophenyl)butyl]cyclopropane-1-carboxylate

methyl 2-[2-(2,6-dichlorophenyl)butyl]cyclopropane-1-carboxylate (PubChem CID 83924997) has the molecular formula C15H18Cl2O2 and a molecular weight of 301.21 g/mol. Its IUPAC name is methyl 2-[2-(2,6-dichlorophenyl)butyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(2,6-dichlorophenyl)butyl]cyclopropane-1-carboxylate
PubChem CID83924997
Molecular FormulaC15H18Cl2O2
Molecular Weight301.21 g/mol
Exact Mass300.07
IUPAC Namemethyl 2-[2-(2,6-dichlorophenyl)butyl]cyclopropane-1-carboxylate
SMILESCCC(CC1CC1C(=O)OC)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H18Cl2O2/c1-3-9(7-10-8-11(10)15(18)19-2)14-12(16)5-4-6-13(14)17/h4-6,9-11H,3,7-8H2,1-2H3
InChIKeyLVMYQJOLPOEWBY-UHFFFAOYSA-N
XLogP4.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.21
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[2-(4-hydroxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylate
CID 83923519
methyl 2-[2-(4-methoxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylate
CID 83940165
methyl 2-[2-(2,3,6-trichlorophenyl)propyl]cyclopropane-1-carboxylate
CID 83925208
methyl 2-[2-[2-(2-methylpropoxy)phenyl]butyl]cyclopropane-1-carboxylate
CID 83932519
methyl 2-[2-(5-bromo-2-fluorophenyl)butyl]cyclopropane-1-carboxylate
CID 83933943
methyl 2-[2-(2-methoxyphenyl)propyl]cyclopropane-1-carboxylate
CID 83929095
methyl 2-[2-(2,3-difluorophenyl)propyl]cyclopropane-1-carboxylate
CID 83925556
methyl 2-[2-(2-chloro-6-fluorophenyl)ethyl]cyclopropane-1-carboxylate
CID 83925307
trans-methyl (1R,2R)-2-benzylcyclopropane-1-carboxylate
CID 71409329
methyl 2-[2-(5-chloro-2-methoxy-3,6-dimethylphenyl)propyl]cyclopropane-1-carboxylate
CID 83940553
methyl 2-[2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]cyclopropane-1-carboxylate
CID 83922326
methyl 2-[2-(3-methylsulfonylphenyl)propyl]cyclopropane-1-carboxylate
CID 83926526

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2,6-dichlorophenyl)butyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 2-[2-(2,6-dichlorophenyl)butyl]cyclopropane-1-carboxylate (CID 83924997) is methyl 2-[2-(2,6-dichlorophenyl)butyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-[2-(2,6-dichlorophenyl)butyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-[2-(2,6-dichlorophenyl)butyl]cyclopropane-1-carboxylate is CCC(CC1CC1C(=O)OC)c1c(Cl)cccc1Cl.
What is the InChIKey of methyl 2-[2-(2,6-dichlorophenyl)butyl]cyclopropane-1-carboxylate?
The InChIKey is LVMYQJOLPOEWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2O2/c1-3-9(7-10-8-11(10)15(18)19-2)14-12(16)5-4-6-13(14)17/h4-6,9-11H,3,7-8H2,1-2H3.
What are the key properties of methyl 2-[2-(2,6-dichlorophenyl)butyl]cyclopropane-1-carboxylate?
methyl 2-[2-(2,6-dichlorophenyl)butyl]cyclopropane-1-carboxylate has a molecular weight of 301.21 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2,6-dichlorophenyl)butyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 83924997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).