methyl 4-(2-cyclopentylethoxy)-3,5-dimethoxybenzoate

C17H24O5 — CID 10447980

IUPACmethyl 4-(2-cyclopentylethoxy)-3,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OCCC2CCCC2)c(OC)c1
InChIInChI=1S/C17H24O5/c1-19-14-10-13(17(18)21-3)11-15(20-2)16(14)22-9-8-12-6-4-5-7-12/h10-12H,4-9H2,1-3H3
InChIKeyIMJGAGFLIVUHAQ-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.45
Rot. Bonds7

About methyl 4-(2-cyclopentylethoxy)-3,5-dimethoxybenzoate

methyl 4-(2-cyclopentylethoxy)-3,5-dimethoxybenzoate (PubChem CID 10447980) has the molecular formula C17H24O5 and a molecular weight of 308.37 g/mol. Its IUPAC name is methyl 4-(2-cyclopentylethoxy)-3,5-dimethoxybenzoate.

Molecular Properties

Compound Namemethyl 4-(2-cyclopentylethoxy)-3,5-dimethoxybenzoate
PubChem CID10447980
Molecular FormulaC17H24O5
Molecular Weight308.37 g/mol
Exact Mass308.16
IUPAC Namemethyl 4-(2-cyclopentylethoxy)-3,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OCCC2CCCC2)c(OC)c1
InChIInChI=1S/C17H24O5/c1-19-14-10-13(17(18)21-3)11-15(20-2)16(14)22-9-8-12-6-4-5-7-12/h10-12H,4-9H2,1-3H3
InChIKeyIMJGAGFLIVUHAQ-UHFFFAOYSA-N
XLogP3.45
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2-cyclopentylethoxy)-3,5-dimethoxybenzoyl]oxybutyl-trimethylazanium
CID 10347073
methyl 4-amino-3-(2-cyclopentylethoxy)benzoate
CID 114191521
methyl 4-(2-hydroxyethoxy)-3,5-dimethoxybenzoate
CID 122501384
N'-(3-cyclopentylpropanoyl)-3,4,5-trimethoxybenzohydrazide
CID 4043294
methyl 5-amino-3-chloro-2-(2-cyclobutylethoxy)benzoate
CID 106203449
methyl 3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)benzoate
CID 58976806
methyl 3,4,5-tripropoxybenzoate
CID 19820325
methyl 4-(2-aminoethoxy)-3-chloro-5-methoxybenzoate
CID 117053288
3-[2,3-bis(3-azaniumylpropoxy)-5-methoxycarbonylphenoxy]propylazanium
CID 102410826
methyl 3-(1-cyclopropyl-1-trimethylsilylprop-2-ynoxy)-4,5-dimethoxybenzoate
CID 87871263
4-methoxy-3-[2-(3-methylcyclohexyl)ethoxy]benzoic acid
CID 67076318
N-(cyclohexylmethyl)-3,5-dimethoxy-4-prop-2-ynoxybenzamide
CID 57445670

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-cyclopentylethoxy)-3,5-dimethoxybenzoate?
The IUPAC name of methyl 4-(2-cyclopentylethoxy)-3,5-dimethoxybenzoate (CID 10447980) is methyl 4-(2-cyclopentylethoxy)-3,5-dimethoxybenzoate.
What is the SMILES notation for methyl 4-(2-cyclopentylethoxy)-3,5-dimethoxybenzoate?
The canonical SMILES for methyl 4-(2-cyclopentylethoxy)-3,5-dimethoxybenzoate is COC(=O)c1cc(OC)c(OCCC2CCCC2)c(OC)c1.
What is the InChIKey of methyl 4-(2-cyclopentylethoxy)-3,5-dimethoxybenzoate?
The InChIKey is IMJGAGFLIVUHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O5/c1-19-14-10-13(17(18)21-3)11-15(20-2)16(14)22-9-8-12-6-4-5-7-12/h10-12H,4-9H2,1-3H3.
What are the key properties of methyl 4-(2-cyclopentylethoxy)-3,5-dimethoxybenzoate?
methyl 4-(2-cyclopentylethoxy)-3,5-dimethoxybenzoate has a molecular weight of 308.37 g/mol, XLogP of 3.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-cyclopentylethoxy)-3,5-dimethoxybenzoate is sourced from PubChem (CID 10447980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).