methyl 2-[2-(4-propoxyphenyl)butyl]cyclopropane-1-carboxylate

C18H26O3 — CID 83932388

IUPACmethyl 2-[2-(4-propoxyphenyl)butyl]cyclopropane-1-carboxylate
SMILESCCCOc1ccc(C(CC)CC2CC2C(=O)OC)cc1
InChIInChI=1S/C18H26O3/c1-4-10-21-16-8-6-14(7-9-16)13(5-2)11-15-12-17(15)18(19)20-3/h6-9,13,15,17H,4-5,10-12H2,1-3H3
InChIKeySSMFBYMVYFQDER-UHFFFAOYSA-N
MW290.40 g/mol
LogP4.17
Rot. Bonds8

About methyl 2-[2-(4-propoxyphenyl)butyl]cyclopropane-1-carboxylate

methyl 2-[2-(4-propoxyphenyl)butyl]cyclopropane-1-carboxylate (PubChem CID 83932388) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is methyl 2-[2-(4-propoxyphenyl)butyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(4-propoxyphenyl)butyl]cyclopropane-1-carboxylate
PubChem CID83932388
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Namemethyl 2-[2-(4-propoxyphenyl)butyl]cyclopropane-1-carboxylate
SMILESCCCOc1ccc(C(CC)CC2CC2C(=O)OC)cc1
InChIInChI=1S/C18H26O3/c1-4-10-21-16-8-6-14(7-9-16)13(5-2)11-15-12-17(15)18(19)20-3/h6-9,13,15,17H,4-5,10-12H2,1-3H3
InChIKeySSMFBYMVYFQDER-UHFFFAOYSA-N
XLogP4.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-pentoxyphenyl)butyl]cyclopropane-1-carboxylic acid
CID 83932649
methyl 2-[2-(4-methoxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylate
CID 83940165
methyl 2-[2-(4-pentoxyphenyl)ethyl]cyclopropane-1-carboxylate
CID 83932635
1-pentan-3-yl-4-(4-propoxyphenyl)benzene
CID 126760661
methyl 2-[2-(5-methyl-2-propoxyphenyl)propyl]cyclopropane-1-carboxylate
CID 83933599
methyl 2-[2-(5-bromo-2-fluorophenyl)butyl]cyclopropane-1-carboxylate
CID 83933943
methyl 2-[2-(4-fluorophenyl)propyl]cyclopropane-1-carboxylate
CID 83931003
cis-methyl (1S,2S)-2-[(4-bromophenoxy)methyl]cyclopropane-1-carboxylate
CID 130399616
methyl 2-[2-(4-ethoxy-2-methylphenyl)propyl]cyclopropane-1-carboxylate
CID 83936699
methyl 2-[2-(4-ethylsulfonylphenyl)propyl]cyclopropane-1-carboxylate
CID 83927264
methyl 2-[2-(3-methoxy-4-propoxyphenyl)ethyl]cyclopropane-1-carboxylate
CID 83938540
methyl 5-oxo-1-[1-(4-propoxyphenyl)ethyl]pyrrolidine-3-carboxylate
CID 168692656

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-propoxyphenyl)butyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 2-[2-(4-propoxyphenyl)butyl]cyclopropane-1-carboxylate (CID 83932388) is methyl 2-[2-(4-propoxyphenyl)butyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-[2-(4-propoxyphenyl)butyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-[2-(4-propoxyphenyl)butyl]cyclopropane-1-carboxylate is CCCOc1ccc(C(CC)CC2CC2C(=O)OC)cc1.
What is the InChIKey of methyl 2-[2-(4-propoxyphenyl)butyl]cyclopropane-1-carboxylate?
The InChIKey is SSMFBYMVYFQDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-4-10-21-16-8-6-14(7-9-16)13(5-2)11-15-12-17(15)18(19)20-3/h6-9,13,15,17H,4-5,10-12H2,1-3H3.
What are the key properties of methyl 2-[2-(4-propoxyphenyl)butyl]cyclopropane-1-carboxylate?
methyl 2-[2-(4-propoxyphenyl)butyl]cyclopropane-1-carboxylate has a molecular weight of 290.40 g/mol, XLogP of 4.17, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-propoxyphenyl)butyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 83932388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).