ethyl 3-(2-bromophenyl)benzoate

C15H13BrO2 — CID 58730981

IUPACethyl 3-(2-bromophenyl)benzoate
SMILESCCOC(=O)c1cccc(-c2ccccc2Br)c1
InChIInChI=1S/C15H13BrO2/c1-2-18-15(17)12-7-5-6-11(10-12)13-8-3-4-9-14(13)16/h3-10H,2H2,1H3
InChIKeyJFMXTWOMFXZWCP-UHFFFAOYSA-N
MW305.17 g/mol
LogP4.29
Rot. Bonds3

About ethyl 3-(2-bromophenyl)benzoate

ethyl 3-(2-bromophenyl)benzoate (PubChem CID 58730981) has the molecular formula C15H13BrO2 and a molecular weight of 305.17 g/mol. Its IUPAC name is ethyl 3-(2-bromophenyl)benzoate.

Molecular Properties

Compound Nameethyl 3-(2-bromophenyl)benzoate
PubChem CID58730981
Molecular FormulaC15H13BrO2
Molecular Weight305.17 g/mol
Exact Mass304.01
IUPAC Nameethyl 3-(2-bromophenyl)benzoate
SMILESCCOC(=O)c1cccc(-c2ccccc2Br)c1
InChIInChI=1S/C15H13BrO2/c1-2-18-15(17)12-7-5-6-11(10-12)13-8-3-4-9-14(13)16/h3-10H,2H2,1H3
InChIKeyJFMXTWOMFXZWCP-UHFFFAOYSA-N
XLogP4.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-bromophenyl)benzoate?
The IUPAC name of ethyl 3-(2-bromophenyl)benzoate (CID 58730981) is ethyl 3-(2-bromophenyl)benzoate.
What is the SMILES notation for ethyl 3-(2-bromophenyl)benzoate?
The canonical SMILES for ethyl 3-(2-bromophenyl)benzoate is CCOC(=O)c1cccc(-c2ccccc2Br)c1.
What is the InChIKey of ethyl 3-(2-bromophenyl)benzoate?
The InChIKey is JFMXTWOMFXZWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO2/c1-2-18-15(17)12-7-5-6-11(10-12)13-8-3-4-9-14(13)16/h3-10H,2H2,1H3.
What are the key properties of ethyl 3-(2-bromophenyl)benzoate?
ethyl 3-(2-bromophenyl)benzoate has a molecular weight of 305.17 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-bromophenyl)benzoate is sourced from PubChem (CID 58730981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).