methyl 4-(2-cyclopentylideneethoxy)benzoate

C15H18O3 — CID 57467652

IUPACmethyl 4-(2-cyclopentylideneethoxy)benzoate
SMILESCOC(=O)c1ccc(OCC=C2CCCC2)cc1
InChIInChI=1S/C15H18O3/c1-17-15(16)13-6-8-14(9-7-13)18-11-10-12-4-2-3-5-12/h6-10H,2-5,11H2,1H3
InChIKeyBXMJFHUQIQZCIH-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.35
Rot. Bonds4

About methyl 4-(2-cyclopentylideneethoxy)benzoate

methyl 4-(2-cyclopentylideneethoxy)benzoate (PubChem CID 57467652) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is methyl 4-(2-cyclopentylideneethoxy)benzoate.

Molecular Properties

Compound Namemethyl 4-(2-cyclopentylideneethoxy)benzoate
PubChem CID57467652
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Namemethyl 4-(2-cyclopentylideneethoxy)benzoate
SMILESCOC(=O)c1ccc(OCC=C2CCCC2)cc1
InChIInChI=1S/C15H18O3/c1-17-15(16)13-6-8-14(9-7-13)18-11-10-12-4-2-3-5-12/h6-10H,2-5,11H2,1H3
InChIKeyBXMJFHUQIQZCIH-UHFFFAOYSA-N
XLogP3.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl 4-(2-cyclopentylideneethoxy)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-(4-prop-2-enoxyphenyl)benzoate
CID 22625454
methyl 4-(4-bromobut-2-enoxy)benzoate
CID 53406810
methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 104560522
methyl 4-[[4-(hydroxymethyl)phenoxy]methyl]benzoate
CID 23631878
methyl 4-(3-cyclopentyl-2-hydroxypropoxy)benzoate
CID 103156169
methyl 4-[2-(azetidin-1-yl)-2-oxoethoxy]benzoate
CID 60743515
methyl 4-[(4-cyclohexylphenoxy)methyl]benzoate
CID 925837
methyl 4-(2-amino-2-methylpropoxy)benzoate
CID 117053561
methyl 4-[2-(fluoroamino)ethoxy]benzoate
CID 143872134
methyl 4-(4-oxopentoxy)benzoate
CID 67943009
methyl 4-[[4-(methylaminomethyl)phenoxy]methyl]benzoate
CID 60880616
methyl 4-(4-hydroxy-4-methylpent-2-ynoxy)benzoate
CID 59323961

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-cyclopentylideneethoxy)benzoate?
The IUPAC name of methyl 4-(2-cyclopentylideneethoxy)benzoate (CID 57467652) is methyl 4-(2-cyclopentylideneethoxy)benzoate.
What is the SMILES notation for methyl 4-(2-cyclopentylideneethoxy)benzoate?
The canonical SMILES for methyl 4-(2-cyclopentylideneethoxy)benzoate is COC(=O)c1ccc(OCC=C2CCCC2)cc1.
What is the InChIKey of methyl 4-(2-cyclopentylideneethoxy)benzoate?
The InChIKey is BXMJFHUQIQZCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-17-15(16)13-6-8-14(9-7-13)18-11-10-12-4-2-3-5-12/h6-10H,2-5,11H2,1H3.
What are the key properties of methyl 4-(2-cyclopentylideneethoxy)benzoate?
methyl 4-(2-cyclopentylideneethoxy)benzoate has a molecular weight of 246.31 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-cyclopentylideneethoxy)benzoate is sourced from PubChem (CID 57467652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).