methyl 2-(2-bromophenyl)cyclopropane-1-carboxylate

C11H11BrO2 — CID 85264672

IUPACmethyl 2-(2-bromophenyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1c1ccccc1Br
InChIInChI=1S/C11H11BrO2/c1-14-11(13)9-6-8(9)7-4-2-3-5-10(7)12/h2-5,8-9H,6H2,1H3
InChIKeyRLRKOQRZLHGEOI-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.73
Rot. Bonds2

About methyl 2-(2-bromophenyl)cyclopropane-1-carboxylate

methyl 2-(2-bromophenyl)cyclopropane-1-carboxylate (PubChem CID 85264672) has the molecular formula C11H11BrO2 and a molecular weight of 255.11 g/mol. Its IUPAC name is methyl 2-(2-bromophenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-bromophenyl)cyclopropane-1-carboxylate
PubChem CID85264672
Molecular FormulaC11H11BrO2
Molecular Weight255.11 g/mol
Exact Mass253.99
IUPAC Namemethyl 2-(2-bromophenyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1c1ccccc1Br
InChIInChI=1S/C11H11BrO2/c1-14-11(13)9-6-8(9)7-4-2-3-5-10(7)12/h2-5,8-9H,6H2,1H3
InChIKeyRLRKOQRZLHGEOI-UHFFFAOYSA-N
XLogP2.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl 2-(2-bromophenyl)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

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-bromophenyl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 2-(2-bromophenyl)cyclopropane-1-carboxylate (CID 85264672) is methyl 2-(2-bromophenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-(2-bromophenyl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-(2-bromophenyl)cyclopropane-1-carboxylate is COC(=O)C1CC1c1ccccc1Br.
What is the InChIKey of methyl 2-(2-bromophenyl)cyclopropane-1-carboxylate?
The InChIKey is RLRKOQRZLHGEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO2/c1-14-11(13)9-6-8(9)7-4-2-3-5-10(7)12/h2-5,8-9H,6H2,1H3.
What are the key properties of methyl 2-(2-bromophenyl)cyclopropane-1-carboxylate?
methyl 2-(2-bromophenyl)cyclopropane-1-carboxylate has a molecular weight of 255.11 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-bromophenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 85264672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).