methyl 2-[2-[2-(2-methylpropoxy)phenyl]butyl]cyclopropane-1-carboxylate

C19H28O3 — CID 83932519

IUPACmethyl 2-[2-[2-(2-methylpropoxy)phenyl]butyl]cyclopropane-1-carboxylate
SMILESCCC(CC1CC1C(=O)OC)c1ccccc1OCC(C)C
InChIInChI=1S/C19H28O3/c1-5-14(10-15-11-17(15)19(20)21-4)16-8-6-7-9-18(16)22-12-13(2)3/h6-9,13-15,17H,5,10-12H2,1-4H3
InChIKeyKGCXBQOEYXXBFK-UHFFFAOYSA-N
MW304.43 g/mol
LogP4.41
Rot. Bonds8

About methyl 2-[2-[2-(2-methylpropoxy)phenyl]butyl]cyclopropane-1-carboxylate

methyl 2-[2-[2-(2-methylpropoxy)phenyl]butyl]cyclopropane-1-carboxylate (PubChem CID 83932519) has the molecular formula C19H28O3 and a molecular weight of 304.43 g/mol. Its IUPAC name is methyl 2-[2-[2-(2-methylpropoxy)phenyl]butyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-[2-(2-methylpropoxy)phenyl]butyl]cyclopropane-1-carboxylate
PubChem CID83932519
Molecular FormulaC19H28O3
Molecular Weight304.43 g/mol
Exact Mass304.20
IUPAC Namemethyl 2-[2-[2-(2-methylpropoxy)phenyl]butyl]cyclopropane-1-carboxylate
SMILESCCC(CC1CC1C(=O)OC)c1ccccc1OCC(C)C
InChIInChI=1S/C19H28O3/c1-5-14(10-15-11-17(15)19(20)21-4)16-8-6-7-9-18(16)22-12-13(2)3/h6-9,13-15,17H,5,10-12H2,1-4H3
InChIKeyKGCXBQOEYXXBFK-UHFFFAOYSA-N
XLogP4.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-(2-methoxyphenyl)propyl]cyclopropane-1-carboxylate
CID 83929095
methyl 2-[2-(2,6-dichlorophenyl)butyl]cyclopropane-1-carboxylate
CID 83924997
1-[(Z)-hept-5-en-3-yl]-2-(2-methylpropoxy)benzene
CID 83932482
methyl 2-[2-(4-ethoxy-3-methoxyphenyl)propyl]cyclopropane-1-carboxylate
CID 83938424
4-[2-(2-methylpropoxy)phenyl]hexane-1,2-diol
CID 83932510
methyl 2-[2-(4-hydroxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylate
CID 83923519
methyl 2-[2-(5-methyl-2-propoxyphenyl)propyl]cyclopropane-1-carboxylate
CID 83933599
methyl 2-[2-(4-fluorophenyl)propyl]cyclopropane-1-carboxylate
CID 83931003
1-(2-methylpropoxy)-2-propan-2-ylbenzene
CID 58901647
trans-methyl (1R,2R)-2-benzylcyclopropane-1-carboxylate
CID 71409329
methyl 2-[2-(4-hydroxyphenyl)propyl]cyclopropane-1-carboxylate
CID 83930458
N-ethyl-1-[2-(2-methylpropoxy)phenyl]ethanamine
CID 43279591

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[2-(2-methylpropoxy)phenyl]butyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 2-[2-[2-(2-methylpropoxy)phenyl]butyl]cyclopropane-1-carboxylate (CID 83932519) is methyl 2-[2-[2-(2-methylpropoxy)phenyl]butyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-[2-[2-(2-methylpropoxy)phenyl]butyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-[2-[2-(2-methylpropoxy)phenyl]butyl]cyclopropane-1-carboxylate is CCC(CC1CC1C(=O)OC)c1ccccc1OCC(C)C.
What is the InChIKey of methyl 2-[2-[2-(2-methylpropoxy)phenyl]butyl]cyclopropane-1-carboxylate?
The InChIKey is KGCXBQOEYXXBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O3/c1-5-14(10-15-11-17(15)19(20)21-4)16-8-6-7-9-18(16)22-12-13(2)3/h6-9,13-15,17H,5,10-12H2,1-4H3.
What are the key properties of methyl 2-[2-[2-(2-methylpropoxy)phenyl]butyl]cyclopropane-1-carboxylate?
methyl 2-[2-[2-(2-methylpropoxy)phenyl]butyl]cyclopropane-1-carboxylate has a molecular weight of 304.43 g/mol, XLogP of 4.41, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[2-(2-methylpropoxy)phenyl]butyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 83932519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).