2-(4-bromophenoxy)ethyl 2-methylcyclopropane-1-carboxylate

C13H15BrO3 — CID 55314844

IUPAC2-(4-bromophenoxy)ethyl 2-methylcyclopropane-1-carboxylate
SMILESCC1CC1C(=O)OCCOc1ccc(Br)cc1
InChIInChI=1S/C13H15BrO3/c1-9-8-12(9)13(15)17-7-6-16-11-4-2-10(14)3-5-11/h2-5,9,12H,6-8H2,1H3
InChIKeyRNRAOHMDZZECGK-UHFFFAOYSA-N
MW299.16 g/mol
LogP3.03
Rot. Bonds5

About 2-(4-bromophenoxy)ethyl 2-methylcyclopropane-1-carboxylate

2-(4-bromophenoxy)ethyl 2-methylcyclopropane-1-carboxylate (PubChem CID 55314844) has the molecular formula C13H15BrO3 and a molecular weight of 299.16 g/mol. Its IUPAC name is 2-(4-bromophenoxy)ethyl 2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name2-(4-bromophenoxy)ethyl 2-methylcyclopropane-1-carboxylate
PubChem CID55314844
Molecular FormulaC13H15BrO3
Molecular Weight299.16 g/mol
Exact Mass298.02
IUPAC Name2-(4-bromophenoxy)ethyl 2-methylcyclopropane-1-carboxylate
SMILESCC1CC1C(=O)OCCOc1ccc(Br)cc1
InChIInChI=1S/C13H15BrO3/c1-9-8-12(9)13(15)17-7-6-16-11-4-2-10(14)3-5-11/h2-5,9,12H,6-8H2,1H3
InChIKeyRNRAOHMDZZECGK-UHFFFAOYSA-N
XLogP3.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 24687232
2-(4-bromophenoxy)ethyl bicyclo[2.2.1]heptane-2-carboxylate
CID 55449824
4-O-[2-(4-bromophenoxy)ethyl] 1-O-tert-butyl piperidine-1,4-dicarboxylate
CID 55393223
[2-(4-bromoanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 23820553
2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate
CID 153491025
2-(4-bromophenoxy)ethyl prop-2-enoate
CID 141115524
4-O-[2-(4-bromophenoxy)ethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 55308187
2-[2-(4-bromophenoxy)ethyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60952814
trans-propyl (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 93032108
2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]cyclohexane-1-carboxylic acid
CID 154604117
cis-(1R,2S)-2-[2-(4-bromophenoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 167806687
10-O-[2-(4-bromophenoxy)ethyl] 1-O-propyl decanedioate
CID 91740180

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)ethyl 2-methylcyclopropane-1-carboxylate?
The IUPAC name of 2-(4-bromophenoxy)ethyl 2-methylcyclopropane-1-carboxylate (CID 55314844) is 2-(4-bromophenoxy)ethyl 2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for 2-(4-bromophenoxy)ethyl 2-methylcyclopropane-1-carboxylate?
The canonical SMILES for 2-(4-bromophenoxy)ethyl 2-methylcyclopropane-1-carboxylate is CC1CC1C(=O)OCCOc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)ethyl 2-methylcyclopropane-1-carboxylate?
The InChIKey is RNRAOHMDZZECGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO3/c1-9-8-12(9)13(15)17-7-6-16-11-4-2-10(14)3-5-11/h2-5,9,12H,6-8H2,1H3.
What are the key properties of 2-(4-bromophenoxy)ethyl 2-methylcyclopropane-1-carboxylate?
2-(4-bromophenoxy)ethyl 2-methylcyclopropane-1-carboxylate has a molecular weight of 299.16 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)ethyl 2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 55314844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).