2-bromo-1-[(2,5-dimethylphenyl)methoxy]-4-methoxybenzene

C16H17BrO2 — CID 104707496

IUPAC2-bromo-1-[(2,5-dimethylphenyl)methoxy]-4-methoxybenzene
SMILESCOc1ccc(OCc2cc(C)ccc2C)c(Br)c1
InChIInChI=1S/C16H17BrO2/c1-11-4-5-12(2)13(8-11)10-19-16-7-6-14(18-3)9-15(16)17/h4-9H,10H2,1-3H3
InChIKeyWVWZYQKVLADYCF-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.65
Rot. Bonds4

About 2-bromo-1-[(2,5-dimethylphenyl)methoxy]-4-methoxybenzene

2-bromo-1-[(2,5-dimethylphenyl)methoxy]-4-methoxybenzene (PubChem CID 104707496) has the molecular formula C16H17BrO2 and a molecular weight of 321.21 g/mol. Its IUPAC name is 2-bromo-1-[(2,5-dimethylphenyl)methoxy]-4-methoxybenzene.

Molecular Properties

Compound Name2-bromo-1-[(2,5-dimethylphenyl)methoxy]-4-methoxybenzene
PubChem CID104707496
Molecular FormulaC16H17BrO2
Molecular Weight321.21 g/mol
Exact Mass320.04
IUPAC Name2-bromo-1-[(2,5-dimethylphenyl)methoxy]-4-methoxybenzene
SMILESCOc1ccc(OCc2cc(C)ccc2C)c(Br)c1
InChIInChI=1S/C16H17BrO2/c1-11-4-5-12(2)13(8-11)10-19-16-7-6-14(18-3)9-15(16)17/h4-9H,10H2,1-3H3
InChIKeyWVWZYQKVLADYCF-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-[(2,5-dimethylphenyl)methoxy]-5-methoxyphenyl]methanamine
CID 61481790
2-bromo-4-(bromomethyl)-1-[(2,5-dimethylphenyl)methoxy]benzene
CID 63534722
2-[2-[(2,5-dimethylphenyl)methoxy]-5-methoxyphenyl]ethanamine
CID 61482092
3-bromo-4-[(2,5-dimethylphenyl)methoxy]benzoic acid
CID 45447581
(1R)-1-[2-[(2,5-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanol
CID 82002762
1-[2-[(2-bromo-5-methoxyphenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
CID 65321998
1,4-dimethyl-2-[(2-methylphenoxy)methyl]benzene
CID 60627928
4-bromo-3-[(2,5-dimethylphenyl)methoxy]aniline
CID 103009356
3-[(2-bromo-4-methoxyphenoxy)methyl]-2-methylaniline
CID 104706661
2-bromo-1-[(5-bromo-2-fluorophenyl)methoxy]-4-methoxybenzene
CID 104707288
1-bromo-2-[(5-fluoro-2-methylphenoxy)methyl]-4-methoxybenzene
CID 102983162
2-[[2-(4-methoxyphenyl)-4-nitrophenoxy]methyl]-1,4-dimethylbenzene
CID 7519959

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[(2,5-dimethylphenyl)methoxy]-4-methoxybenzene?
The IUPAC name of 2-bromo-1-[(2,5-dimethylphenyl)methoxy]-4-methoxybenzene (CID 104707496) is 2-bromo-1-[(2,5-dimethylphenyl)methoxy]-4-methoxybenzene.
What is the SMILES notation for 2-bromo-1-[(2,5-dimethylphenyl)methoxy]-4-methoxybenzene?
The canonical SMILES for 2-bromo-1-[(2,5-dimethylphenyl)methoxy]-4-methoxybenzene is COc1ccc(OCc2cc(C)ccc2C)c(Br)c1.
What is the InChIKey of 2-bromo-1-[(2,5-dimethylphenyl)methoxy]-4-methoxybenzene?
The InChIKey is WVWZYQKVLADYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO2/c1-11-4-5-12(2)13(8-11)10-19-16-7-6-14(18-3)9-15(16)17/h4-9H,10H2,1-3H3.
What are the key properties of 2-bromo-1-[(2,5-dimethylphenyl)methoxy]-4-methoxybenzene?
2-bromo-1-[(2,5-dimethylphenyl)methoxy]-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 2-bromo-1-[(2,5-dimethylphenyl)methoxy]-4-methoxybenzene is sourced from PubChem (CID 104707496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).