(2-methoxyphenyl) 2-bromo-5-methoxybenzoate

C15H13BrO4 — CID 8778433

IUPAC(2-methoxyphenyl) 2-bromo-5-methoxybenzoate
SMILESCOc1ccc(Br)c(C(=O)Oc2ccccc2OC)c1
InChIInChI=1S/C15H13BrO4/c1-18-10-7-8-12(16)11(9-10)15(17)20-14-6-4-3-5-13(14)19-2/h3-9H,1-2H3
InChIKeyHJIVWWJAEUTOIL-UHFFFAOYSA-N
MW337.17 g/mol
LogP3.69
Rot. Bonds4

About (2-methoxyphenyl) 2-bromo-5-methoxybenzoate

(2-methoxyphenyl) 2-bromo-5-methoxybenzoate (PubChem CID 8778433) has the molecular formula C15H13BrO4 and a molecular weight of 337.17 g/mol. Its IUPAC name is (2-methoxyphenyl) 2-bromo-5-methoxybenzoate.

Molecular Properties

Compound Name(2-methoxyphenyl) 2-bromo-5-methoxybenzoate
PubChem CID8778433
Molecular FormulaC15H13BrO4
Molecular Weight337.17 g/mol
Exact Mass336.00
IUPAC Name(2-methoxyphenyl) 2-bromo-5-methoxybenzoate
SMILESCOc1ccc(Br)c(C(=O)Oc2ccccc2OC)c1
InChIInChI=1S/C15H13BrO4/c1-18-10-7-8-12(16)11(9-10)15(17)20-14-6-4-3-5-13(14)19-2/h3-9H,1-2H3
InChIKeyHJIVWWJAEUTOIL-UHFFFAOYSA-N
XLogP3.69
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 105079993
2-bromo-3-(2-bromo-5-methoxybenzoyl)oxy-5-methoxybenzoic acid
CID 155797286
(2-bromo-5-methoxyphenyl)-(2-bromophenyl)methanone
CID 138970439
(4-cyanophenyl) 2-bromo-5-methoxybenzoate
CID 2640957
ethyl 2-bromo-5-methoxybenzoate
CID 43389585
(4-methoxyphenyl) 2,5-dibromobenzoate
CID 990766
(2-chlorophenyl) 2,4-dimethoxybenzoate
CID 2366254
(2-methoxyphenyl) 3-ethoxynaphthalene-2-carboxylate
CID 24505759
(3-methyl-4-propan-2-ylphenyl) 2-bromo-5-methoxybenzoate
CID 7927182
[2-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]-5-methoxyphenyl] 2-bromobenzoate
CID 2918843
1-(2-bromo-5-methoxyphenyl)prop-2-en-1-one
CID 105110975
diphenyl 4-methoxybenzene-1,2-dicarboxylate
CID 21306237

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) 2-bromo-5-methoxybenzoate?
The IUPAC name of (2-methoxyphenyl) 2-bromo-5-methoxybenzoate (CID 8778433) is (2-methoxyphenyl) 2-bromo-5-methoxybenzoate.
What is the SMILES notation for (2-methoxyphenyl) 2-bromo-5-methoxybenzoate?
The canonical SMILES for (2-methoxyphenyl) 2-bromo-5-methoxybenzoate is COc1ccc(Br)c(C(=O)Oc2ccccc2OC)c1.
What is the InChIKey of (2-methoxyphenyl) 2-bromo-5-methoxybenzoate?
The InChIKey is HJIVWWJAEUTOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO4/c1-18-10-7-8-12(16)11(9-10)15(17)20-14-6-4-3-5-13(14)19-2/h3-9H,1-2H3.
What are the key properties of (2-methoxyphenyl) 2-bromo-5-methoxybenzoate?
(2-methoxyphenyl) 2-bromo-5-methoxybenzoate has a molecular weight of 337.17 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl) 2-bromo-5-methoxybenzoate is sourced from PubChem (CID 8778433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).