methyl 4-[2-(1-ethylcyclopropyl)ethyl]benzoate

C15H20O2 — CID 134382420

IUPACmethyl 4-[2-(1-ethylcyclopropyl)ethyl]benzoate
SMILESCCC1(CCc2ccc(C(=O)OC)cc2)CC1
InChIInChI=1S/C15H20O2/c1-3-15(10-11-15)9-8-12-4-6-13(7-5-12)14(16)17-2/h4-7H,3,8-11H2,1-2H3
InChIKeyTWLCSOLZWVYCPC-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.60
Rot. Bonds5

About methyl 4-[2-(1-ethylcyclopropyl)ethyl]benzoate

methyl 4-[2-(1-ethylcyclopropyl)ethyl]benzoate (PubChem CID 134382420) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is methyl 4-[2-(1-ethylcyclopropyl)ethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-(1-ethylcyclopropyl)ethyl]benzoate
PubChem CID134382420
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Namemethyl 4-[2-(1-ethylcyclopropyl)ethyl]benzoate
SMILESCCC1(CCc2ccc(C(=O)OC)cc2)CC1
InChIInChI=1S/C15H20O2/c1-3-15(10-11-15)9-8-12-4-6-13(7-5-12)14(16)17-2/h4-7H,3,8-11H2,1-2H3
InChIKeyTWLCSOLZWVYCPC-UHFFFAOYSA-N
XLogP3.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl 4-[2-(1-ethylcyclopropyl)ethyl]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-[[(1-ethylcyclopropyl)methylamino]methyl]benzoate
CID 103923539
methyl 4-[3-(4-methoxycarbonylphenyl)propyl]benzoate
CID 4063050
methyl 4-[4-(4-propylphenyl)phenyl]benzoate
CID 142331537
3-(4-methoxycarbonylphenyl)propanoic acid
CID 22716688
3-(4-methoxycarbonylphenyl)propylazanium
CID 154715672
2-(4-methoxycarbonylphenyl)ethanesulfonic acid
CID 46835733
methyl 4-[2-(1-adamantylamino)ethyl]benzoate
CID 155665355
methyl 4-(3-pyrrolidin-1-ylpropyl)benzoate
CID 10658147
methyl 4-[3-(4-fluorophenyl)propyl]benzoate
CID 58531347
methyl 4-[[(1-aminocyclopropanecarbonyl)amino]methyl]benzoate
CID 65466652
methyl 4-[2,3-difluoro-4-(4-propylphenyl)phenyl]benzoate
CID 142331543
ethyl 1-[(4-methoxycarbonylphenyl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate
CID 23724015

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(1-ethylcyclopropyl)ethyl]benzoate?
The IUPAC name of methyl 4-[2-(1-ethylcyclopropyl)ethyl]benzoate (CID 134382420) is methyl 4-[2-(1-ethylcyclopropyl)ethyl]benzoate.
What is the SMILES notation for methyl 4-[2-(1-ethylcyclopropyl)ethyl]benzoate?
The canonical SMILES for methyl 4-[2-(1-ethylcyclopropyl)ethyl]benzoate is CCC1(CCc2ccc(C(=O)OC)cc2)CC1.
What is the InChIKey of methyl 4-[2-(1-ethylcyclopropyl)ethyl]benzoate?
The InChIKey is TWLCSOLZWVYCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-3-15(10-11-15)9-8-12-4-6-13(7-5-12)14(16)17-2/h4-7H,3,8-11H2,1-2H3.
What are the key properties of methyl 4-[2-(1-ethylcyclopropyl)ethyl]benzoate?
methyl 4-[2-(1-ethylcyclopropyl)ethyl]benzoate has a molecular weight of 232.32 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(1-ethylcyclopropyl)ethyl]benzoate is sourced from PubChem (CID 134382420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).