ethyl 2-(4-bromophenoxy)benzoate

C15H13BrO3 — CID 23464800

IUPACethyl 2-(4-bromophenoxy)benzoate
SMILESCCOC(=O)c1ccccc1Oc1ccc(Br)cc1
InChIInChI=1S/C15H13BrO3/c1-2-18-15(17)13-5-3-4-6-14(13)19-12-9-7-11(16)8-10-12/h3-10H,2H2,1H3
InChIKeyBJQYYHPYGWSGGP-UHFFFAOYSA-N
MW321.17 g/mol
LogP4.42
Rot. Bonds4

About ethyl 2-(4-bromophenoxy)benzoate

ethyl 2-(4-bromophenoxy)benzoate (PubChem CID 23464800) has the molecular formula C15H13BrO3 and a molecular weight of 321.17 g/mol. Its IUPAC name is ethyl 2-(4-bromophenoxy)benzoate.

Molecular Properties

Compound Nameethyl 2-(4-bromophenoxy)benzoate
PubChem CID23464800
Molecular FormulaC15H13BrO3
Molecular Weight321.17 g/mol
Exact Mass320.00
IUPAC Nameethyl 2-(4-bromophenoxy)benzoate
SMILESCCOC(=O)c1ccccc1Oc1ccc(Br)cc1
InChIInChI=1S/C15H13BrO3/c1-2-18-15(17)13-5-3-4-6-14(13)19-12-9-7-11(16)8-10-12/h3-10H,2H2,1H3
InChIKeyBJQYYHPYGWSGGP-UHFFFAOYSA-N
XLogP4.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-ethoxycarbonylphenoxy)benzoate
CID 142800670
ethyl 2-(3,4-difluorophenoxy)benzoate
CID 175272248
ethyl 2-amino-5-(4-bromophenoxy)benzoate
CID 63423182
ethyl 2-acetyloxybenzoate;hydrochloride
CID 168984732
ethyl 5-(4-bromophenoxy)-2-fluorobenzoate
CID 164893643
ethyl 5-bromo-2-(2-ethoxybenzoyl)oxybenzoate
CID 17343270
ethyl 2-(4-propoxybenzoyl)oxybenzoate
CID 23011682
2-(4-bromophenoxy)benzenecarbothioamide
CID 28602302
ethyl 2-[3-(trifluoromethyl)phenoxy]benzoate
CID 133061108
ethyl 2-(2,2-dimethylpropanoyloxy)benzoate
CID 71314327
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-phenoxybenzoate
CID 7760680
ethyl 2-(2-fluorobenzoyl)oxybenzoate
CID 23011835

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-bromophenoxy)benzoate?
The IUPAC name of ethyl 2-(4-bromophenoxy)benzoate (CID 23464800) is ethyl 2-(4-bromophenoxy)benzoate.
What is the SMILES notation for ethyl 2-(4-bromophenoxy)benzoate?
The canonical SMILES for ethyl 2-(4-bromophenoxy)benzoate is CCOC(=O)c1ccccc1Oc1ccc(Br)cc1.
What is the InChIKey of ethyl 2-(4-bromophenoxy)benzoate?
The InChIKey is BJQYYHPYGWSGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO3/c1-2-18-15(17)13-5-3-4-6-14(13)19-12-9-7-11(16)8-10-12/h3-10H,2H2,1H3.
What are the key properties of ethyl 2-(4-bromophenoxy)benzoate?
ethyl 2-(4-bromophenoxy)benzoate has a molecular weight of 321.17 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-bromophenoxy)benzoate is sourced from PubChem (CID 23464800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).