methyl 4-[2-(4-bromophenyl)ethoxy]benzoate

C16H15BrO3 — CID 66812433

IUPACmethyl 4-[2-(4-bromophenyl)ethoxy]benzoate
SMILESCOC(=O)c1ccc(OCCc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H15BrO3/c1-19-16(18)13-4-8-15(9-5-13)20-11-10-12-2-6-14(17)7-3-12/h2-9H,10-11H2,1H3
InChIKeyRIPRCLKOQXAUET-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.86
Rot. Bonds5

About methyl 4-[2-(4-bromophenyl)ethoxy]benzoate

methyl 4-[2-(4-bromophenyl)ethoxy]benzoate (PubChem CID 66812433) has the molecular formula C16H15BrO3 and a molecular weight of 335.20 g/mol. Its IUPAC name is methyl 4-[2-(4-bromophenyl)ethoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-(4-bromophenyl)ethoxy]benzoate
PubChem CID66812433
Molecular FormulaC16H15BrO3
Molecular Weight335.20 g/mol
Exact Mass334.02
IUPAC Namemethyl 4-[2-(4-bromophenyl)ethoxy]benzoate
SMILESCOC(=O)c1ccc(OCCc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H15BrO3/c1-19-16(18)13-4-8-15(9-5-13)20-11-10-12-2-6-14(17)7-3-12/h2-9H,10-11H2,1H3
InChIKeyRIPRCLKOQXAUET-UHFFFAOYSA-N
XLogP3.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-O-[2-(4-bromophenoxy)ethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 55308187
methyl 3-bromo-4-[4-(2-phenylethoxy)benzoyl]oxybenzoate
CID 23012301
methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 104560522
methyl 4-[[(4-bromophenyl)methylamino]methyl]benzoate
CID 60685580
methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]benzoate
CID 122582432
methyl 4-(2-propanoyloxyethoxy)benzoate
CID 59386419
methyl 4-[3-(4-methoxycarbonylphenyl)propyl]benzoate
CID 4063050
2-(4-bromophenoxy)ethyl 4-aminobenzoate
CID 60643099
(4-propylphenyl) 4-bromobenzoate
CID 19184745
methyl 4-[[2-[4-[(4-bromophenoxy)methyl]-2,5-dimethylthiophen-3-yl]ethylamino]methyl]benzoate
CID 15923089
methyl 3-[[4-[4-(4-bromophenoxy)butyl]benzoyl]amino]propanoate
CID 67485632
methyl 4-[2-(fluoroamino)ethoxy]benzoate
CID 143872134

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(4-bromophenyl)ethoxy]benzoate?
The IUPAC name of methyl 4-[2-(4-bromophenyl)ethoxy]benzoate (CID 66812433) is methyl 4-[2-(4-bromophenyl)ethoxy]benzoate.
What is the SMILES notation for methyl 4-[2-(4-bromophenyl)ethoxy]benzoate?
The canonical SMILES for methyl 4-[2-(4-bromophenyl)ethoxy]benzoate is COC(=O)c1ccc(OCCc2ccc(Br)cc2)cc1.
What is the InChIKey of methyl 4-[2-(4-bromophenyl)ethoxy]benzoate?
The InChIKey is RIPRCLKOQXAUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO3/c1-19-16(18)13-4-8-15(9-5-13)20-11-10-12-2-6-14(17)7-3-12/h2-9H,10-11H2,1H3.
What are the key properties of methyl 4-[2-(4-bromophenyl)ethoxy]benzoate?
methyl 4-[2-(4-bromophenyl)ethoxy]benzoate has a molecular weight of 335.20 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(4-bromophenyl)ethoxy]benzoate is sourced from PubChem (CID 66812433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).