methyl 4-[(5-bromo-2-methoxyphenyl)methoxy]benzoate

C16H15BrO4 — CID 9019523

IUPACmethyl 4-[(5-bromo-2-methoxyphenyl)methoxy]benzoate
SMILESCOC(=O)c1ccc(OCc2cc(Br)ccc2OC)cc1
InChIInChI=1S/C16H15BrO4/c1-19-15-8-5-13(17)9-12(15)10-21-14-6-3-11(4-7-14)16(18)20-2/h3-9H,10H2,1-2H3
InChIKeyFWBJMGKYJVHWMD-UHFFFAOYSA-N
MW351.20 g/mol
LogP3.82
Rot. Bonds5

About methyl 4-[(5-bromo-2-methoxyphenyl)methoxy]benzoate

methyl 4-[(5-bromo-2-methoxyphenyl)methoxy]benzoate (PubChem CID 9019523) has the molecular formula C16H15BrO4 and a molecular weight of 351.20 g/mol. Its IUPAC name is methyl 4-[(5-bromo-2-methoxyphenyl)methoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[(5-bromo-2-methoxyphenyl)methoxy]benzoate
PubChem CID9019523
Molecular FormulaC16H15BrO4
Molecular Weight351.20 g/mol
Exact Mass350.02
IUPAC Namemethyl 4-[(5-bromo-2-methoxyphenyl)methoxy]benzoate
SMILESCOC(=O)c1ccc(OCc2cc(Br)ccc2OC)cc1
InChIInChI=1S/C16H15BrO4/c1-19-15-8-5-13(17)9-12(15)10-21-14-6-3-11(4-7-14)16(18)20-2/h3-9H,10H2,1-2H3
InChIKeyFWBJMGKYJVHWMD-UHFFFAOYSA-N
XLogP3.82
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-bromo-2-methoxyphenyl)methoxy]phenol
CID 54971308
methyl 2-[4-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]acetate
CID 55400234
methyl 4-[(3-bromo-4-methoxyphenyl)methoxy]benzoate
CID 60673471
1-[3-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone
CID 55399315
methyl 4-[(3,4-dimethoxyphenyl)methoxy]benzoate
CID 15186062
(5-bromo-2-methoxyphenyl)methyl 4-cyanobenzoate
CID 9201843
methyl 4-[(5-bromo-2-pyridinyl)methoxy]benzoate
CID 104795982
1-[4-bromo-2-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone
CID 102948039
(5-bromo-2-methoxyphenyl)methyl 3,4,5-trimethoxybenzoate
CID 9201420
methyl 4-[(5-bromo-2-methoxyphenyl)methyl-methylsulfonylamino]benzoate
CID 56578687
2-bromo-4-[(5-bromo-2-methoxyphenyl)methoxy]-1-fluorobenzene
CID 83233054
4-bromo-2-[(4-butan-2-ylphenoxy)methyl]-1-methoxybenzene
CID 107667675

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-bromo-2-methoxyphenyl)methoxy]benzoate?
The IUPAC name of methyl 4-[(5-bromo-2-methoxyphenyl)methoxy]benzoate (CID 9019523) is methyl 4-[(5-bromo-2-methoxyphenyl)methoxy]benzoate.
What is the SMILES notation for methyl 4-[(5-bromo-2-methoxyphenyl)methoxy]benzoate?
The canonical SMILES for methyl 4-[(5-bromo-2-methoxyphenyl)methoxy]benzoate is COC(=O)c1ccc(OCc2cc(Br)ccc2OC)cc1.
What is the InChIKey of methyl 4-[(5-bromo-2-methoxyphenyl)methoxy]benzoate?
The InChIKey is FWBJMGKYJVHWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO4/c1-19-15-8-5-13(17)9-12(15)10-21-14-6-3-11(4-7-14)16(18)20-2/h3-9H,10H2,1-2H3.
What are the key properties of methyl 4-[(5-bromo-2-methoxyphenyl)methoxy]benzoate?
methyl 4-[(5-bromo-2-methoxyphenyl)methoxy]benzoate has a molecular weight of 351.20 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-bromo-2-methoxyphenyl)methoxy]benzoate is sourced from PubChem (CID 9019523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).