ethyl 5-bromo-2-[(2-chlorophenyl)methoxy]benzoate

C16H14BrClO3 — CID 1271159

IUPACethyl 5-bromo-2-[(2-chlorophenyl)methoxy]benzoate
SMILESCCOC(=O)c1cc(Br)ccc1OCc1ccccc1Cl
InChIInChI=1S/C16H14BrClO3/c1-2-20-16(19)13-9-12(17)7-8-15(13)21-10-11-5-3-4-6-14(11)18/h3-9H,2,10H2,1H3
InChIKeyFKTZCAIWYVYLGR-UHFFFAOYSA-N
MW369.64 g/mol
LogP4.86
Rot. Bonds5

About ethyl 5-bromo-2-[(2-chlorophenyl)methoxy]benzoate

ethyl 5-bromo-2-[(2-chlorophenyl)methoxy]benzoate (PubChem CID 1271159) has the molecular formula C16H14BrClO3 and a molecular weight of 369.64 g/mol. Its IUPAC name is ethyl 5-bromo-2-[(2-chlorophenyl)methoxy]benzoate.

Molecular Properties

Compound Nameethyl 5-bromo-2-[(2-chlorophenyl)methoxy]benzoate
PubChem CID1271159
Molecular FormulaC16H14BrClO3
Molecular Weight369.64 g/mol
Exact Mass367.98
IUPAC Nameethyl 5-bromo-2-[(2-chlorophenyl)methoxy]benzoate
SMILESCCOC(=O)c1cc(Br)ccc1OCc1ccccc1Cl
InChIInChI=1S/C16H14BrClO3/c1-2-20-16(19)13-9-12(17)7-8-15(13)21-10-11-5-3-4-6-14(11)18/h3-9H,2,10H2,1H3
InChIKeyFKTZCAIWYVYLGR-UHFFFAOYSA-N
XLogP4.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.64
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-bromo-2-[(2-chlorophenyl)methoxy]benzoate?
The IUPAC name of ethyl 5-bromo-2-[(2-chlorophenyl)methoxy]benzoate (CID 1271159) is ethyl 5-bromo-2-[(2-chlorophenyl)methoxy]benzoate.
What is the SMILES notation for ethyl 5-bromo-2-[(2-chlorophenyl)methoxy]benzoate?
The canonical SMILES for ethyl 5-bromo-2-[(2-chlorophenyl)methoxy]benzoate is CCOC(=O)c1cc(Br)ccc1OCc1ccccc1Cl.
What is the InChIKey of ethyl 5-bromo-2-[(2-chlorophenyl)methoxy]benzoate?
The InChIKey is FKTZCAIWYVYLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClO3/c1-2-20-16(19)13-9-12(17)7-8-15(13)21-10-11-5-3-4-6-14(11)18/h3-9H,2,10H2,1H3.
What are the key properties of ethyl 5-bromo-2-[(2-chlorophenyl)methoxy]benzoate?
ethyl 5-bromo-2-[(2-chlorophenyl)methoxy]benzoate has a molecular weight of 369.64 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-bromo-2-[(2-chlorophenyl)methoxy]benzoate is sourced from PubChem (CID 1271159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).