methyl 2-[2-(5-methyl-2-propoxyphenyl)propyl]cyclopropane-1-carboxylate

C18H26O3 — CID 83933599

IUPACmethyl 2-[2-(5-methyl-2-propoxyphenyl)propyl]cyclopropane-1-carboxylate
SMILESCCCOc1ccc(C)cc1C(C)CC1CC1C(=O)OC
InChIInChI=1S/C18H26O3/c1-5-8-21-17-7-6-12(2)9-15(17)13(3)10-14-11-16(14)18(19)20-4/h6-7,9,13-14,16H,5,8,10-11H2,1-4H3
InChIKeyGQWMZIRNNJRXKS-UHFFFAOYSA-N
MW290.40 g/mol
LogP4.09
Rot. Bonds7

About methyl 2-[2-(5-methyl-2-propoxyphenyl)propyl]cyclopropane-1-carboxylate

methyl 2-[2-(5-methyl-2-propoxyphenyl)propyl]cyclopropane-1-carboxylate (PubChem CID 83933599) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is methyl 2-[2-(5-methyl-2-propoxyphenyl)propyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(5-methyl-2-propoxyphenyl)propyl]cyclopropane-1-carboxylate
PubChem CID83933599
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Namemethyl 2-[2-(5-methyl-2-propoxyphenyl)propyl]cyclopropane-1-carboxylate
SMILESCCCOc1ccc(C)cc1C(C)CC1CC1C(=O)OC
InChIInChI=1S/C18H26O3/c1-5-8-21-17-7-6-12(2)9-15(17)13(3)10-14-11-16(14)18(19)20-4/h6-7,9,13-14,16H,5,8,10-11H2,1-4H3
InChIKeyGQWMZIRNNJRXKS-UHFFFAOYSA-N
XLogP4.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-(4-ethoxy-3-methoxyphenyl)propyl]cyclopropane-1-carboxylate
CID 83938424
methyl 2-[2-(2-methoxyphenyl)propyl]cyclopropane-1-carboxylate
CID 83929095
methyl 2-[2-(4-methoxy-2,5-dimethylphenyl)propyl]cyclopropane-1-carboxylate
CID 83927871
methyl 2-[2-(5-tert-butyl-2-methylphenyl)propyl]cyclopropane-1-carboxylate
CID 83935426
methyl 2-[2-(3-methoxy-4-propoxyphenyl)ethyl]cyclopropane-1-carboxylate
CID 83938540
2-[2-(2-ethoxy-5-fluorophenyl)propyl]cyclopropane-1-carboxylic acid
CID 83944113
methyl 2-[2-(4-propoxyphenyl)butyl]cyclopropane-1-carboxylate
CID 83932388
methyl 2-[2-[2-(2-methylpropoxy)phenyl]butyl]cyclopropane-1-carboxylate
CID 83932519
methyl 2-[2-(4-hydroxyphenyl)propyl]cyclopropane-1-carboxylate
CID 83930458
methyl 2-[2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]cyclopropane-1-carboxylate
CID 83922326
methyl 2-[2-(4-fluorophenyl)propyl]cyclopropane-1-carboxylate
CID 83931003
methyl 2-[2-(3-bromo-4-ethylphenyl)propyl]cyclopropane-1-carboxylate
CID 83921729

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(5-methyl-2-propoxyphenyl)propyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 2-[2-(5-methyl-2-propoxyphenyl)propyl]cyclopropane-1-carboxylate (CID 83933599) is methyl 2-[2-(5-methyl-2-propoxyphenyl)propyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-[2-(5-methyl-2-propoxyphenyl)propyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-[2-(5-methyl-2-propoxyphenyl)propyl]cyclopropane-1-carboxylate is CCCOc1ccc(C)cc1C(C)CC1CC1C(=O)OC.
What is the InChIKey of methyl 2-[2-(5-methyl-2-propoxyphenyl)propyl]cyclopropane-1-carboxylate?
The InChIKey is GQWMZIRNNJRXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-5-8-21-17-7-6-12(2)9-15(17)13(3)10-14-11-16(14)18(19)20-4/h6-7,9,13-14,16H,5,8,10-11H2,1-4H3.
What are the key properties of methyl 2-[2-(5-methyl-2-propoxyphenyl)propyl]cyclopropane-1-carboxylate?
methyl 2-[2-(5-methyl-2-propoxyphenyl)propyl]cyclopropane-1-carboxylate has a molecular weight of 290.40 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(5-methyl-2-propoxyphenyl)propyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 83933599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).