methyl 2-[2-(3-bromo-4-ethylphenyl)propyl]cyclopropane-1-carboxylate

C16H21BrO2 — CID 83921729

IUPACmethyl 2-[2-(3-bromo-4-ethylphenyl)propyl]cyclopropane-1-carboxylate
SMILESCCc1ccc(C(C)CC2CC2C(=O)OC)cc1Br
InChIInChI=1S/C16H21BrO2/c1-4-11-5-6-12(9-15(11)17)10(2)7-13-8-14(13)16(18)19-3/h5-6,9-10,13-14H,4,7-8H2,1-3H3
InChIKeyRJTMCGNXPDHOSB-UHFFFAOYSA-N
MW325.25 g/mol
LogP4.31
Rot. Bonds5

About methyl 2-[2-(3-bromo-4-ethylphenyl)propyl]cyclopropane-1-carboxylate

methyl 2-[2-(3-bromo-4-ethylphenyl)propyl]cyclopropane-1-carboxylate (PubChem CID 83921729) has the molecular formula C16H21BrO2 and a molecular weight of 325.25 g/mol. Its IUPAC name is methyl 2-[2-(3-bromo-4-ethylphenyl)propyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(3-bromo-4-ethylphenyl)propyl]cyclopropane-1-carboxylate
PubChem CID83921729
Molecular FormulaC16H21BrO2
Molecular Weight325.25 g/mol
Exact Mass324.07
IUPAC Namemethyl 2-[2-(3-bromo-4-ethylphenyl)propyl]cyclopropane-1-carboxylate
SMILESCCc1ccc(C(C)CC2CC2C(=O)OC)cc1Br
InChIInChI=1S/C16H21BrO2/c1-4-11-5-6-12(9-15(11)17)10(2)7-13-8-14(13)16(18)19-3/h5-6,9-10,13-14H,4,7-8H2,1-3H3
InChIKeyRJTMCGNXPDHOSB-UHFFFAOYSA-N
XLogP4.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl 2-[2-(3-bromo-4-ethylphenyl)propyl]cyclopropane-1-carboxylate 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 2-[2-(4-hydroxyphenyl)propyl]cyclopropane-1-carboxylate
CID 83930458
methyl 2-[2-(4-ethylsulfonylphenyl)propyl]cyclopropane-1-carboxylate
CID 83927264
methyl 2-[2-(4-fluorophenyl)propyl]cyclopropane-1-carboxylate
CID 83931003
methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopropane-1-carboxylate
CID 83922196
methyl 2-[2-(4-ethoxy-3-methoxyphenyl)propyl]cyclopropane-1-carboxylate
CID 83938424
methyl 2-[2-(4-tert-butylphenyl)propyl]cyclopropane-1-carboxylate
CID 83928797
methyl 2-[2-(2-methoxyphenyl)propyl]cyclopropane-1-carboxylate
CID 83929095
methyl 2-[2-(5-tert-butyl-2-methylphenyl)propyl]cyclopropane-1-carboxylate
CID 83935426
methyl 2-[2-(5-methyl-2-propoxyphenyl)propyl]cyclopropane-1-carboxylate
CID 83933599
methyl 2-[2-(4-methoxy-2,5-dimethylphenyl)propyl]cyclopropane-1-carboxylate
CID 83927871
methyl 2-[2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]cyclopropane-1-carboxylate
CID 83922326
methyl 2-[2-(4-propoxyphenyl)butyl]cyclopropane-1-carboxylate
CID 83932388

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(3-bromo-4-ethylphenyl)propyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 2-[2-(3-bromo-4-ethylphenyl)propyl]cyclopropane-1-carboxylate (CID 83921729) is methyl 2-[2-(3-bromo-4-ethylphenyl)propyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-[2-(3-bromo-4-ethylphenyl)propyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-[2-(3-bromo-4-ethylphenyl)propyl]cyclopropane-1-carboxylate is CCc1ccc(C(C)CC2CC2C(=O)OC)cc1Br.
What is the InChIKey of methyl 2-[2-(3-bromo-4-ethylphenyl)propyl]cyclopropane-1-carboxylate?
The InChIKey is RJTMCGNXPDHOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrO2/c1-4-11-5-6-12(9-15(11)17)10(2)7-13-8-14(13)16(18)19-3/h5-6,9-10,13-14H,4,7-8H2,1-3H3.
What are the key properties of methyl 2-[2-(3-bromo-4-ethylphenyl)propyl]cyclopropane-1-carboxylate?
methyl 2-[2-(3-bromo-4-ethylphenyl)propyl]cyclopropane-1-carboxylate has a molecular weight of 325.25 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(3-bromo-4-ethylphenyl)propyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 83921729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).