1-[(5-bromo-2-methoxyphenyl)methoxy]-2,3,5-trimethylbenzene

C17H19BrO2 — CID 63457710

IUPAC1-[(5-bromo-2-methoxyphenyl)methoxy]-2,3,5-trimethylbenzene
SMILESCOc1ccc(Br)cc1COc1cc(C)cc(C)c1C
InChIInChI=1S/C17H19BrO2/c1-11-7-12(2)13(3)17(8-11)20-10-14-9-15(18)5-6-16(14)19-4/h5-9H,10H2,1-4H3
InChIKeyAMJFBHYTKUZNNW-UHFFFAOYSA-N
MW335.24 g/mol
LogP4.96
Rot. Bonds4

About 1-[(5-bromo-2-methoxyphenyl)methoxy]-2,3,5-trimethylbenzene

1-[(5-bromo-2-methoxyphenyl)methoxy]-2,3,5-trimethylbenzene (PubChem CID 63457710) has the molecular formula C17H19BrO2 and a molecular weight of 335.24 g/mol. Its IUPAC name is 1-[(5-bromo-2-methoxyphenyl)methoxy]-2,3,5-trimethylbenzene.

Molecular Properties

Compound Name1-[(5-bromo-2-methoxyphenyl)methoxy]-2,3,5-trimethylbenzene
PubChem CID63457710
Molecular FormulaC17H19BrO2
Molecular Weight335.24 g/mol
Exact Mass334.06
IUPAC Name1-[(5-bromo-2-methoxyphenyl)methoxy]-2,3,5-trimethylbenzene
SMILESCOc1ccc(Br)cc1COc1cc(C)cc(C)c1C
InChIInChI=1S/C17H19BrO2/c1-11-7-12(2)13(3)17(8-11)20-10-14-9-15(18)5-6-16(14)19-4/h5-9H,10H2,1-4H3
InChIKeyAMJFBHYTKUZNNW-UHFFFAOYSA-N
XLogP4.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.24
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-bromo-2-methoxyphenyl)methoxy]-2-(bromomethyl)-4-methylbenzene
CID 63535753
[2-methoxy-5-[(2,3,5-trimethylphenoxy)methyl]phenyl]methanamine
CID 65338686
2-[(5-bromo-2-methoxyphenyl)methoxy]-4-methylbenzoic acid
CID 60711640
(1R)-1-[2-[(5-bromo-2-methoxyphenyl)methoxy]-4-methylphenyl]ethanol
CID 63650441
5-[(5-bromo-2-methoxyphenyl)methoxy]-2-chloro-1,3-dimethylbenzene
CID 63458388
2-[(5-bromo-2-methoxyphenyl)methoxy]-1,4-difluorobenzene
CID 63458235
2-[(5-bromo-2-methylphenoxy)methyl]-4-chloro-1-methoxybenzene
CID 107284239
4-[(5-bromo-2-methoxyphenyl)methoxy]phenol
CID 54971308
4-bromo-3-[(5-bromo-2-methoxyphenyl)methoxy]aniline
CID 103008574
3-[(5-bromo-2-methylphenoxy)methyl]-4-methoxybenzonitrile
CID 107283826
4-bromo-1-methoxy-2-[(3-methoxyphenoxy)methyl]benzene
CID 60666586
2-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1,3,5-trimethylbenzene
CID 63536019

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-methoxyphenyl)methoxy]-2,3,5-trimethylbenzene?
The IUPAC name of 1-[(5-bromo-2-methoxyphenyl)methoxy]-2,3,5-trimethylbenzene (CID 63457710) is 1-[(5-bromo-2-methoxyphenyl)methoxy]-2,3,5-trimethylbenzene.
What is the SMILES notation for 1-[(5-bromo-2-methoxyphenyl)methoxy]-2,3,5-trimethylbenzene?
The canonical SMILES for 1-[(5-bromo-2-methoxyphenyl)methoxy]-2,3,5-trimethylbenzene is COc1ccc(Br)cc1COc1cc(C)cc(C)c1C.
What is the InChIKey of 1-[(5-bromo-2-methoxyphenyl)methoxy]-2,3,5-trimethylbenzene?
The InChIKey is AMJFBHYTKUZNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO2/c1-11-7-12(2)13(3)17(8-11)20-10-14-9-15(18)5-6-16(14)19-4/h5-9H,10H2,1-4H3.
What are the key properties of 1-[(5-bromo-2-methoxyphenyl)methoxy]-2,3,5-trimethylbenzene?
1-[(5-bromo-2-methoxyphenyl)methoxy]-2,3,5-trimethylbenzene has a molecular weight of 335.24 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-methoxyphenyl)methoxy]-2,3,5-trimethylbenzene is sourced from PubChem (CID 63457710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).