2-[(5-bromo-2-methylphenoxy)methyl]-1,3,5-trimethylbenzene

C17H19BrO — CID 107284300

IUPAC2-[(5-bromo-2-methylphenoxy)methyl]-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(COc2cc(Br)ccc2C)c(C)c1
InChIInChI=1S/C17H19BrO/c1-11-7-13(3)16(14(4)8-11)10-19-17-9-15(18)6-5-12(17)2/h5-9H,10H2,1-4H3
InChIKeyPLXOMOAGXMXIIR-UHFFFAOYSA-N
MW319.24 g/mol
LogP5.26
Rot. Bonds3

About 2-[(5-bromo-2-methylphenoxy)methyl]-1,3,5-trimethylbenzene

2-[(5-bromo-2-methylphenoxy)methyl]-1,3,5-trimethylbenzene (PubChem CID 107284300) has the molecular formula C17H19BrO and a molecular weight of 319.24 g/mol. Its IUPAC name is 2-[(5-bromo-2-methylphenoxy)methyl]-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-[(5-bromo-2-methylphenoxy)methyl]-1,3,5-trimethylbenzene
PubChem CID107284300
Molecular FormulaC17H19BrO
Molecular Weight319.24 g/mol
Exact Mass318.06
IUPAC Name2-[(5-bromo-2-methylphenoxy)methyl]-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(COc2cc(Br)ccc2C)c(C)c1
InChIInChI=1S/C17H19BrO/c1-11-7-13(3)16(14(4)8-11)10-19-17-9-15(18)6-5-12(17)2/h5-9H,10H2,1-4H3
InChIKeyPLXOMOAGXMXIIR-UHFFFAOYSA-N
XLogP5.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.24
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1,3,5-trimethylbenzene
CID 63536019
[5-bromo-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol
CID 63533092
2-[(5-bromo-2-methylphenoxy)methyl]-3-chloroaniline
CID 107283450
1-[4-[(5-bromo-2-methylphenoxy)methyl]phenyl]-N-methylmethanamine
CID 107285914
4-bromo-2-(2-chloroethoxy)-1-methylbenzene
CID 107283647
3-(5-bromo-2-methylphenoxy)propan-1-amine
CID 82648257
[3-[(5-bromo-2-methylphenoxy)methyl]phenyl]methanamine
CID 107283560
4-bromo-2-[(3-chlorophenyl)methoxy]-1-methylbenzene
CID 107284184
4-bromo-2-[(3-fluorophenyl)methoxy]-1-methylbenzene
CID 107284187
4-bromo-1-methyl-2-[(4-nitrophenyl)methoxy]benzene
CID 107283936
4-bromo-2-hexoxy-1-methylbenzene
CID 59244054
4-(5-bromo-2-methylphenoxy)butan-1-amine
CID 107283575

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-methylphenoxy)methyl]-1,3,5-trimethylbenzene?
The IUPAC name of 2-[(5-bromo-2-methylphenoxy)methyl]-1,3,5-trimethylbenzene (CID 107284300) is 2-[(5-bromo-2-methylphenoxy)methyl]-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-[(5-bromo-2-methylphenoxy)methyl]-1,3,5-trimethylbenzene?
The canonical SMILES for 2-[(5-bromo-2-methylphenoxy)methyl]-1,3,5-trimethylbenzene is Cc1cc(C)c(COc2cc(Br)ccc2C)c(C)c1.
What is the InChIKey of 2-[(5-bromo-2-methylphenoxy)methyl]-1,3,5-trimethylbenzene?
The InChIKey is PLXOMOAGXMXIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO/c1-11-7-13(3)16(14(4)8-11)10-19-17-9-15(18)6-5-12(17)2/h5-9H,10H2,1-4H3.
What are the key properties of 2-[(5-bromo-2-methylphenoxy)methyl]-1,3,5-trimethylbenzene?
2-[(5-bromo-2-methylphenoxy)methyl]-1,3,5-trimethylbenzene has a molecular weight of 319.24 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-methylphenoxy)methyl]-1,3,5-trimethylbenzene is sourced from PubChem (CID 107284300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).