2-bromo-4-[(4-methoxyphenoxy)methyl]-1-methylbenzene

C15H15BrO2 — CID 117221925

IUPAC2-bromo-4-[(4-methoxyphenoxy)methyl]-1-methylbenzene
SMILESCOc1ccc(OCc2ccc(C)c(Br)c2)cc1
InChIInChI=1S/C15H15BrO2/c1-11-3-4-12(9-15(11)16)10-18-14-7-5-13(17-2)6-8-14/h3-9H,10H2,1-2H3
InChIKeyXPYLJYIQQFHXDB-UHFFFAOYSA-N
MW307.19 g/mol
LogP4.35
Rot. Bonds4

About 2-bromo-4-[(4-methoxyphenoxy)methyl]-1-methylbenzene

2-bromo-4-[(4-methoxyphenoxy)methyl]-1-methylbenzene (PubChem CID 117221925) has the molecular formula C15H15BrO2 and a molecular weight of 307.19 g/mol. Its IUPAC name is 2-bromo-4-[(4-methoxyphenoxy)methyl]-1-methylbenzene.

Molecular Properties

Compound Name2-bromo-4-[(4-methoxyphenoxy)methyl]-1-methylbenzene
PubChem CID117221925
Molecular FormulaC15H15BrO2
Molecular Weight307.19 g/mol
Exact Mass306.03
IUPAC Name2-bromo-4-[(4-methoxyphenoxy)methyl]-1-methylbenzene
SMILESCOc1ccc(OCc2ccc(C)c(Br)c2)cc1
InChIInChI=1S/C15H15BrO2/c1-11-3-4-12(9-15(11)16)10-18-14-7-5-13(17-2)6-8-14/h3-9H,10H2,1-2H3
InChIKeyXPYLJYIQQFHXDB-UHFFFAOYSA-N
XLogP4.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-[(4-chlorophenoxy)methyl]-1-methylbenzene
CID 117221919
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2-bromo-4-[(3-fluoro-4-methylphenoxy)methyl]-1-methoxybenzene
CID 107170178
4-[(4-bromo-3-methylphenyl)methoxy]phenol
CID 69115875
2-bromo-4-[(3,4-dimethylphenoxy)methyl]-1-fluorobenzene
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2-bromo-4-[(3-bromo-4-methylphenoxy)methoxy]-1-methylbenzene
CID 166607692
(1R)-N-[(3-bromo-4-methylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 105401602
1-bromo-4-[(3,4-dimethoxyphenyl)methoxy]-2-methylbenzene
CID 83134055
4-[(4-methoxyphenyl)methoxy]-2,6-dimethylaniline
CID 170076319
2-bromo-1-methoxy-4-[(4-propan-2-ylphenoxy)methyl]benzene
CID 60673925
2-bromo-4-[(4-methoxyphenyl)methoxy]-5-methylaniline
CID 137378485
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(4-methoxyphenoxy)methyl]-1-methylbenzene?
The IUPAC name of 2-bromo-4-[(4-methoxyphenoxy)methyl]-1-methylbenzene (CID 117221925) is 2-bromo-4-[(4-methoxyphenoxy)methyl]-1-methylbenzene.
What is the SMILES notation for 2-bromo-4-[(4-methoxyphenoxy)methyl]-1-methylbenzene?
The canonical SMILES for 2-bromo-4-[(4-methoxyphenoxy)methyl]-1-methylbenzene is COc1ccc(OCc2ccc(C)c(Br)c2)cc1.
What is the InChIKey of 2-bromo-4-[(4-methoxyphenoxy)methyl]-1-methylbenzene?
The InChIKey is XPYLJYIQQFHXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO2/c1-11-3-4-12(9-15(11)16)10-18-14-7-5-13(17-2)6-8-14/h3-9H,10H2,1-2H3.
What are the key properties of 2-bromo-4-[(4-methoxyphenoxy)methyl]-1-methylbenzene?
2-bromo-4-[(4-methoxyphenoxy)methyl]-1-methylbenzene has a molecular weight of 307.19 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(4-methoxyphenoxy)methyl]-1-methylbenzene is sourced from PubChem (CID 117221925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).