1-bromo-4-[(3,4-dimethoxyphenyl)methoxy]-2-methylbenzene

C16H17BrO3 — CID 83134055

IUPAC1-bromo-4-[(3,4-dimethoxyphenyl)methoxy]-2-methylbenzene
SMILESCOc1ccc(COc2ccc(Br)c(C)c2)cc1OC
InChIInChI=1S/C16H17BrO3/c1-11-8-13(5-6-14(11)17)20-10-12-4-7-15(18-2)16(9-12)19-3/h4-9H,10H2,1-3H3
InChIKeyAKDYYCDGFMSDMJ-UHFFFAOYSA-N
MW337.21 g/mol
LogP4.35
Rot. Bonds5

About 1-bromo-4-[(3,4-dimethoxyphenyl)methoxy]-2-methylbenzene

1-bromo-4-[(3,4-dimethoxyphenyl)methoxy]-2-methylbenzene (PubChem CID 83134055) has the molecular formula C16H17BrO3 and a molecular weight of 337.21 g/mol. Its IUPAC name is 1-bromo-4-[(3,4-dimethoxyphenyl)methoxy]-2-methylbenzene.

Molecular Properties

Compound Name1-bromo-4-[(3,4-dimethoxyphenyl)methoxy]-2-methylbenzene
PubChem CID83134055
Molecular FormulaC16H17BrO3
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC Name1-bromo-4-[(3,4-dimethoxyphenyl)methoxy]-2-methylbenzene
SMILESCOc1ccc(COc2ccc(Br)c(C)c2)cc1OC
InChIInChI=1S/C16H17BrO3/c1-11-8-13(5-6-14(11)17)20-10-12-4-7-15(18-2)16(9-12)19-3/h4-9H,10H2,1-3H3
InChIKeyAKDYYCDGFMSDMJ-UHFFFAOYSA-N
XLogP4.35
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-4-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbenzene
CID 83133800
4-[(4-bromo-3-methylphenoxy)methyl]-2-methoxybenzenecarbothioamide
CID 106789213
4-[(3,4-dimethoxyphenyl)methoxy]-1-fluoro-2-methylbenzene
CID 81421870
[3-[(4-bromo-3-methylphenoxy)methyl]-4-methoxyphenyl]methanamine
CID 83133090
1-bromo-4-[(4-chlorophenyl)methoxy]-2-methylbenzene
CID 83133451
2-bromo-4-[(3-fluoro-4-methylphenoxy)methyl]-1-methoxybenzene
CID 107170178
4-[(4-iodophenoxy)methyl]-1,2-dimethoxybenzene
CID 61400160
4-[(4-bromo-3-methylphenyl)methoxy]phenol
CID 69115875
4-[(4-bromo-3-methylphenoxy)methyl]benzamide
CID 81300987
1-bromo-4-[(3,5-difluorophenyl)methoxy]-2-methylbenzene
CID 112694000
[4-[(3,4-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine
CID 106786175
4-[(4-bromo-3-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 83141030

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(3,4-dimethoxyphenyl)methoxy]-2-methylbenzene?
The IUPAC name of 1-bromo-4-[(3,4-dimethoxyphenyl)methoxy]-2-methylbenzene (CID 83134055) is 1-bromo-4-[(3,4-dimethoxyphenyl)methoxy]-2-methylbenzene.
What is the SMILES notation for 1-bromo-4-[(3,4-dimethoxyphenyl)methoxy]-2-methylbenzene?
The canonical SMILES for 1-bromo-4-[(3,4-dimethoxyphenyl)methoxy]-2-methylbenzene is COc1ccc(COc2ccc(Br)c(C)c2)cc1OC.
What is the InChIKey of 1-bromo-4-[(3,4-dimethoxyphenyl)methoxy]-2-methylbenzene?
The InChIKey is AKDYYCDGFMSDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO3/c1-11-8-13(5-6-14(11)17)20-10-12-4-7-15(18-2)16(9-12)19-3/h4-9H,10H2,1-3H3.
What are the key properties of 1-bromo-4-[(3,4-dimethoxyphenyl)methoxy]-2-methylbenzene?
1-bromo-4-[(3,4-dimethoxyphenyl)methoxy]-2-methylbenzene has a molecular weight of 337.21 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(3,4-dimethoxyphenyl)methoxy]-2-methylbenzene is sourced from PubChem (CID 83134055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).