methyl 2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-4-methoxybenzoate

C18H19BrO6 — CID 16563809

IUPACmethyl 2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)cc1OCc1cc(OC)c(OC)cc1Br
InChIInChI=1S/C18H19BrO6/c1-21-12-5-6-13(18(20)24-4)15(8-12)25-10-11-7-16(22-2)17(23-3)9-14(11)19/h5-9H,10H2,1-4H3
InChIKeyNGXPUVMZBPGLEC-UHFFFAOYSA-N
MW411.25 g/mol
LogP3.84
Rot. Bonds7

About methyl 2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-4-methoxybenzoate

methyl 2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-4-methoxybenzoate (PubChem CID 16563809) has the molecular formula C18H19BrO6 and a molecular weight of 411.25 g/mol. Its IUPAC name is methyl 2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-4-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-4-methoxybenzoate
PubChem CID16563809
Molecular FormulaC18H19BrO6
Molecular Weight411.25 g/mol
Exact Mass410.04
IUPAC Namemethyl 2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)cc1OCc1cc(OC)c(OC)cc1Br
InChIInChI=1S/C18H19BrO6/c1-21-12-5-6-13(18(20)24-4)15(8-12)25-10-11-7-16(22-2)17(23-3)9-14(11)19/h5-9H,10H2,1-4H3
InChIKeyNGXPUVMZBPGLEC-UHFFFAOYSA-N
XLogP3.84
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.25
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-bromo-2,5-dimethoxyphenyl)methoxy]-4-methoxybenzamide
CID 18143078
methyl 2-[(5-acetyl-2-methoxyphenyl)methoxy]-4-methoxybenzoate
CID 7705078
methyl 2-[(2-chlorophenyl)methoxy]-4-methoxybenzoate
CID 25235977
methyl 2-[2-(4-bromophenoxy)ethoxy]-4-methoxybenzoate
CID 7705076
methyl 2-[(2-cyanophenyl)methoxy]-4-methoxybenzoate
CID 26676915
2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]benzamide
CID 8939782
(4-bromophenyl) 2,4-dimethoxybenzoate
CID 47098117
methyl 4-methoxy-2-(2-phenoxyethoxy)benzoate
CID 78766507
methyl 2-acetyloxy-4-methoxybenzoate
CID 91721012
2-[(2-bromo-5-methoxyphenyl)methoxy]-4-fluorobenzoic acid
CID 107014577
3-(2-bromo-4,5-dimethoxyphenyl)-N-(2,4-dimethoxyphenyl)propanamide
CID 1406234
methyl 2-(2,4-dimethoxyphenyl)benzoate
CID 14078327

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-4-methoxybenzoate?
The IUPAC name of methyl 2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-4-methoxybenzoate (CID 16563809) is methyl 2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-4-methoxybenzoate.
What is the SMILES notation for methyl 2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-4-methoxybenzoate?
The canonical SMILES for methyl 2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-4-methoxybenzoate is COC(=O)c1ccc(OC)cc1OCc1cc(OC)c(OC)cc1Br.
What is the InChIKey of methyl 2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-4-methoxybenzoate?
The InChIKey is NGXPUVMZBPGLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrO6/c1-21-12-5-6-13(18(20)24-4)15(8-12)25-10-11-7-16(22-2)17(23-3)9-14(11)19/h5-9H,10H2,1-4H3.
What are the key properties of methyl 2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-4-methoxybenzoate?
methyl 2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-4-methoxybenzoate has a molecular weight of 411.25 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-4-methoxybenzoate is sourced from PubChem (CID 16563809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).