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

C16H17BrO2 — CID 65326131

IUPAC1-bromo-2-[(2,6-dimethylphenoxy)methyl]-4-methoxybenzene
SMILESCOc1ccc(Br)c(COc2c(C)cccc2C)c1
InChIInChI=1S/C16H17BrO2/c1-11-5-4-6-12(2)16(11)19-10-13-9-14(18-3)7-8-15(13)17/h4-9H,10H2,1-3H3
InChIKeyXUWFPJKXIPJDGP-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.65
Rot. Bonds4

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

1-bromo-2-[(2,6-dimethylphenoxy)methyl]-4-methoxybenzene (PubChem CID 65326131) has the molecular formula C16H17BrO2 and a molecular weight of 321.21 g/mol. Its IUPAC name is 1-bromo-2-[(2,6-dimethylphenoxy)methyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-bromo-2-[(2,6-dimethylphenoxy)methyl]-4-methoxybenzene
PubChem CID65326131
Molecular FormulaC16H17BrO2
Molecular Weight321.21 g/mol
Exact Mass320.04
IUPAC Name1-bromo-2-[(2,6-dimethylphenoxy)methyl]-4-methoxybenzene
SMILESCOc1ccc(Br)c(COc2c(C)cccc2C)c1
InChIInChI=1S/C16H17BrO2/c1-11-5-4-6-12(2)16(11)19-10-13-9-14(18-3)7-8-15(13)17/h4-9H,10H2,1-3H3
InChIKeyXUWFPJKXIPJDGP-UHFFFAOYSA-N
XLogP4.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-bromo-5-methoxyphenyl)methoxy]-3-methylbenzoic acid
CID 65322657
[4-[(2-bromo-5-methoxyphenyl)methoxy]-3,5-dimethylphenyl]methanol
CID 65322781
1-bromo-2-[(2,6-dimethylphenoxy)methyl]-4-(4-fluorophenoxy)benzene
CID 67351742
1-[(2-bromo-5-methoxyphenyl)methoxy]-5-methoxynaphthalene
CID 22728210
[3,5-dibromo-4-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]methanamine
CID 107741569
1-bromo-2-[(2-bromo-5-methoxyphenyl)methoxy]-3-nitrobenzene
CID 81496186
1-bromo-2-[(5-fluoro-2-methylphenoxy)methyl]-4-methoxybenzene
CID 102983162
1-bromo-2-[(2,3-dichlorophenoxy)methyl]-4-methoxybenzene
CID 65326523
7-[(2-bromo-5-methoxyphenyl)methoxy]-2,4-dimethylquinoline
CID 134830670
4-[(2-bromo-5-methoxyphenyl)methoxy]-3,5-difluorobenzaldehyde
CID 79884305
(1S)-1-[3-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]ethanol
CID 65323262
3-[(2-bromo-5-methoxyphenyl)methoxy]benzenecarbothioamide
CID 65323381

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[(2,6-dimethylphenoxy)methyl]-4-methoxybenzene?
The IUPAC name of 1-bromo-2-[(2,6-dimethylphenoxy)methyl]-4-methoxybenzene (CID 65326131) is 1-bromo-2-[(2,6-dimethylphenoxy)methyl]-4-methoxybenzene.
What is the SMILES notation for 1-bromo-2-[(2,6-dimethylphenoxy)methyl]-4-methoxybenzene?
The canonical SMILES for 1-bromo-2-[(2,6-dimethylphenoxy)methyl]-4-methoxybenzene is COc1ccc(Br)c(COc2c(C)cccc2C)c1.
What is the InChIKey of 1-bromo-2-[(2,6-dimethylphenoxy)methyl]-4-methoxybenzene?
The InChIKey is XUWFPJKXIPJDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO2/c1-11-5-4-6-12(2)16(11)19-10-13-9-14(18-3)7-8-15(13)17/h4-9H,10H2,1-3H3.
What are the key properties of 1-bromo-2-[(2,6-dimethylphenoxy)methyl]-4-methoxybenzene?
1-bromo-2-[(2,6-dimethylphenoxy)methyl]-4-methoxybenzene has a molecular weight of 321.21 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[(2,6-dimethylphenoxy)methyl]-4-methoxybenzene is sourced from PubChem (CID 65326131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).