2-bromo-1-[4-(bromomethyl)-3-methylphenoxy]-4-methoxybenzene

C15H14Br2O2 — CID 107089149

IUPAC2-bromo-1-[4-(bromomethyl)-3-methylphenoxy]-4-methoxybenzene
SMILESCOc1ccc(Oc2ccc(CBr)c(C)c2)c(Br)c1
InChIInChI=1S/C15H14Br2O2/c1-10-7-13(4-3-11(10)9-16)19-15-6-5-12(18-2)8-14(15)17/h3-8H,9H2,1-2H3
InChIKeyRODPVJHHSSRLKO-UHFFFAOYSA-N
MW386.08 g/mol
LogP5.45
Rot. Bonds4

About 2-bromo-1-[4-(bromomethyl)-3-methylphenoxy]-4-methoxybenzene

2-bromo-1-[4-(bromomethyl)-3-methylphenoxy]-4-methoxybenzene (PubChem CID 107089149) has the molecular formula C15H14Br2O2 and a molecular weight of 386.08 g/mol. Its IUPAC name is 2-bromo-1-[4-(bromomethyl)-3-methylphenoxy]-4-methoxybenzene.

Molecular Properties

Compound Name2-bromo-1-[4-(bromomethyl)-3-methylphenoxy]-4-methoxybenzene
PubChem CID107089149
Molecular FormulaC15H14Br2O2
Molecular Weight386.08 g/mol
Exact Mass383.94
IUPAC Name2-bromo-1-[4-(bromomethyl)-3-methylphenoxy]-4-methoxybenzene
SMILESCOc1ccc(Oc2ccc(CBr)c(C)c2)c(Br)c1
InChIInChI=1S/C15H14Br2O2/c1-10-7-13(4-3-11(10)9-16)19-15-6-5-12(18-2)8-14(15)17/h3-8H,9H2,1-2H3
InChIKeyRODPVJHHSSRLKO-UHFFFAOYSA-N
XLogP5.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.08
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[4-(2-bromo-4-methoxyphenoxy)-2-methylphenyl]methanamine
CID 104706389
1-(bromomethyl)-4-(4-ethyl-2-methoxyphenoxy)-2-methylbenzene
CID 107666228
1-[4-(bromomethyl)-3-methylphenoxy]-2,3,5-trimethylbenzene
CID 107087431
5-bromo-1-[4-(bromomethyl)-3-methylphenoxy]-2,3-difluorobenzene
CID 107100289
1-(bromomethyl)-4-(2-chloro-4-fluorophenoxy)-2-methylbenzene
CID 107087869
1-[3-bromo-4-(bromomethyl)phenoxy]-4,5-difluoro-2-methylbenzene
CID 114276748
ethane;1-ethyl-4-methoxy-2-methylbenzene
CID 142129466
1-bromo-4-[2-(bromomethyl)-5-chlorophenoxy]-2-methylbenzene
CID 107089078
1-(3-bromo-2-methylpropyl)-4-methoxy-2-methylbenzene
CID 65316290
2-bromo-4-[[2-(bromomethyl)-5-methoxyphenoxy]methyl]-1-methoxybenzene
CID 63536563
[2-(2-bromo-4-methoxyphenoxy)-6-methyl-3-pyridinyl]methanamine
CID 104706374
2-bromo-1-[(2,5-dimethylphenyl)methoxy]-4-methoxybenzene
CID 104707496

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[4-(bromomethyl)-3-methylphenoxy]-4-methoxybenzene?
The IUPAC name of 2-bromo-1-[4-(bromomethyl)-3-methylphenoxy]-4-methoxybenzene (CID 107089149) is 2-bromo-1-[4-(bromomethyl)-3-methylphenoxy]-4-methoxybenzene.
What is the SMILES notation for 2-bromo-1-[4-(bromomethyl)-3-methylphenoxy]-4-methoxybenzene?
The canonical SMILES for 2-bromo-1-[4-(bromomethyl)-3-methylphenoxy]-4-methoxybenzene is COc1ccc(Oc2ccc(CBr)c(C)c2)c(Br)c1.
What is the InChIKey of 2-bromo-1-[4-(bromomethyl)-3-methylphenoxy]-4-methoxybenzene?
The InChIKey is RODPVJHHSSRLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2O2/c1-10-7-13(4-3-11(10)9-16)19-15-6-5-12(18-2)8-14(15)17/h3-8H,9H2,1-2H3.
What are the key properties of 2-bromo-1-[4-(bromomethyl)-3-methylphenoxy]-4-methoxybenzene?
2-bromo-1-[4-(bromomethyl)-3-methylphenoxy]-4-methoxybenzene has a molecular weight of 386.08 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[4-(bromomethyl)-3-methylphenoxy]-4-methoxybenzene is sourced from PubChem (CID 107089149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).