2-bromo-4-[(2,6-dimethoxyphenoxy)methyl]-1-methoxybenzene

C16H17BrO4 — CID 60673478

IUPAC2-bromo-4-[(2,6-dimethoxyphenoxy)methyl]-1-methoxybenzene
SMILESCOc1ccc(COc2c(OC)cccc2OC)cc1Br
InChIInChI=1S/C16H17BrO4/c1-18-13-8-7-11(9-12(13)17)10-21-16-14(19-2)5-4-6-15(16)20-3/h4-9H,10H2,1-3H3
InChIKeyWOVNMXKLXHSYOW-UHFFFAOYSA-N
MW353.21 g/mol
LogP4.05
Rot. Bonds6

About 2-bromo-4-[(2,6-dimethoxyphenoxy)methyl]-1-methoxybenzene

2-bromo-4-[(2,6-dimethoxyphenoxy)methyl]-1-methoxybenzene (PubChem CID 60673478) has the molecular formula C16H17BrO4 and a molecular weight of 353.21 g/mol. Its IUPAC name is 2-bromo-4-[(2,6-dimethoxyphenoxy)methyl]-1-methoxybenzene.

Molecular Properties

Compound Name2-bromo-4-[(2,6-dimethoxyphenoxy)methyl]-1-methoxybenzene
PubChem CID60673478
Molecular FormulaC16H17BrO4
Molecular Weight353.21 g/mol
Exact Mass352.03
IUPAC Name2-bromo-4-[(2,6-dimethoxyphenoxy)methyl]-1-methoxybenzene
SMILESCOc1ccc(COc2c(OC)cccc2OC)cc1Br
InChIInChI=1S/C16H17BrO4/c1-18-13-8-7-11(9-12(13)17)10-21-16-14(19-2)5-4-6-15(16)20-3/h4-9H,10H2,1-3H3
InChIKeyWOVNMXKLXHSYOW-UHFFFAOYSA-N
XLogP4.05
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromophenyl)methoxy]-1,3-dimethoxybenzene
CID 6457254
[3,5-dibromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 107741586
5-[(2-bromo-6-methoxyphenoxy)methyl]-2-methoxyaniline
CID 83141041
2-bromo-4-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1-methoxybenzene
CID 115956472
2-bromo-4-[[2-(chloromethyl)phenoxy]methyl]-1-methoxybenzene
CID 63535495
[3-bromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 63045813
2-[(3-bromo-4-methoxyphenyl)methoxy]-3-fluorobenzoic acid
CID 115956053
(1R)-1-[2-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]ethanol
CID 63364819
(Z)-N-[(3-bromo-4-methoxyphenyl)methoxy]-1-(2,3-dimethoxyphenyl)methanimine
CID 9354666
2-[(3-bromo-4-fluorophenyl)methoxy]-3-methoxybenzoic acid
CID 61379650
2-bromo-4-[(3-chlorophenyl)methoxymethyl]-1-methoxybenzene
CID 65126584
5-bromo-2-[(3-bromo-4-methoxyphenyl)methoxy]-3-methylbenzaldehyde
CID 115961843

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(2,6-dimethoxyphenoxy)methyl]-1-methoxybenzene?
The IUPAC name of 2-bromo-4-[(2,6-dimethoxyphenoxy)methyl]-1-methoxybenzene (CID 60673478) is 2-bromo-4-[(2,6-dimethoxyphenoxy)methyl]-1-methoxybenzene.
What is the SMILES notation for 2-bromo-4-[(2,6-dimethoxyphenoxy)methyl]-1-methoxybenzene?
The canonical SMILES for 2-bromo-4-[(2,6-dimethoxyphenoxy)methyl]-1-methoxybenzene is COc1ccc(COc2c(OC)cccc2OC)cc1Br.
What is the InChIKey of 2-bromo-4-[(2,6-dimethoxyphenoxy)methyl]-1-methoxybenzene?
The InChIKey is WOVNMXKLXHSYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO4/c1-18-13-8-7-11(9-12(13)17)10-21-16-14(19-2)5-4-6-15(16)20-3/h4-9H,10H2,1-3H3.
What are the key properties of 2-bromo-4-[(2,6-dimethoxyphenoxy)methyl]-1-methoxybenzene?
2-bromo-4-[(2,6-dimethoxyphenoxy)methyl]-1-methoxybenzene has a molecular weight of 353.21 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(2,6-dimethoxyphenoxy)methyl]-1-methoxybenzene is sourced from PubChem (CID 60673478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).