2-bromo-4-[(3-bromo-4-methylphenoxy)methoxy]-1-methylbenzene

C15H14Br2O2 — CID 166607692

IUPAC2-bromo-4-[(3-bromo-4-methylphenoxy)methoxy]-1-methylbenzene
SMILESCc1ccc(OCOc2ccc(C)c(Br)c2)cc1Br
InChIInChI=1S/C15H14Br2O2/c1-10-3-5-12(7-14(10)16)18-9-19-13-6-4-11(2)15(17)8-13/h3-8H,9H2,1-2H3
InChIKeyBGGWOTYUABFLHU-UHFFFAOYSA-N
MW386.08 g/mol
LogP5.24
Rot. Bonds4

About 2-bromo-4-[(3-bromo-4-methylphenoxy)methoxy]-1-methylbenzene

2-bromo-4-[(3-bromo-4-methylphenoxy)methoxy]-1-methylbenzene (PubChem CID 166607692) has the molecular formula C15H14Br2O2 and a molecular weight of 386.08 g/mol. Its IUPAC name is 2-bromo-4-[(3-bromo-4-methylphenoxy)methoxy]-1-methylbenzene.

Molecular Properties

Compound Name2-bromo-4-[(3-bromo-4-methylphenoxy)methoxy]-1-methylbenzene
PubChem CID166607692
Molecular FormulaC15H14Br2O2
Molecular Weight386.08 g/mol
Exact Mass383.94
IUPAC Name2-bromo-4-[(3-bromo-4-methylphenoxy)methoxy]-1-methylbenzene
SMILESCc1ccc(OCOc2ccc(C)c(Br)c2)cc1Br
InChIInChI=1S/C15H14Br2O2/c1-10-3-5-12(7-14(10)16)18-9-19-13-6-4-11(2)15(17)8-13/h3-8H,9H2,1-2H3
InChIKeyBGGWOTYUABFLHU-UHFFFAOYSA-N
XLogP5.24
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 ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-bromo-4-[(3-bromo-4-methylphenoxy)methoxy]-1-methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-1-methyl-4-(2,2,2-trifluoroethoxy)benzene
CID 130995615
2-bromo-1-methyl-4-prop-2-ynoxybenzene
CID 131137666
1-(3-bromo-4-methylphenoxy)propan-2-ol
CID 130815670
O-(3-bromo-4-methylphenyl)hydroxylamine
CID 131165484
2-bromo-1-methyl-4-[2-(trifluoromethoxy)ethoxy]benzene
CID 170276413
2-bromo-4-[(4-methoxyphenoxy)methyl]-1-methylbenzene
CID 117221925
5-[(3-bromo-4-methylphenoxy)methyl]-2H-tetrazole
CID 131046406
2-bromo-4-butan-2-yloxy-1-methylbenzene
CID 127004858
2-bromo-1-methyl-4-(trifluoromethoxy)benzene
CID 54333957
4-[(3-bromo-4-methylphenoxy)methyl]oxan-4-ol
CID 167959882
2-(3-bromo-4-methylphenoxy)propanoic acid
CID 131031677
(2R)-2-(3-bromo-4-methylphenoxy)propanoic acid
CID 130962484

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(3-bromo-4-methylphenoxy)methoxy]-1-methylbenzene?
The IUPAC name of 2-bromo-4-[(3-bromo-4-methylphenoxy)methoxy]-1-methylbenzene (CID 166607692) is 2-bromo-4-[(3-bromo-4-methylphenoxy)methoxy]-1-methylbenzene.
What is the SMILES notation for 2-bromo-4-[(3-bromo-4-methylphenoxy)methoxy]-1-methylbenzene?
The canonical SMILES for 2-bromo-4-[(3-bromo-4-methylphenoxy)methoxy]-1-methylbenzene is Cc1ccc(OCOc2ccc(C)c(Br)c2)cc1Br.
What is the InChIKey of 2-bromo-4-[(3-bromo-4-methylphenoxy)methoxy]-1-methylbenzene?
The InChIKey is BGGWOTYUABFLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2O2/c1-10-3-5-12(7-14(10)16)18-9-19-13-6-4-11(2)15(17)8-13/h3-8H,9H2,1-2H3.
What are the key properties of 2-bromo-4-[(3-bromo-4-methylphenoxy)methoxy]-1-methylbenzene?
2-bromo-4-[(3-bromo-4-methylphenoxy)methoxy]-1-methylbenzene has a molecular weight of 386.08 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(3-bromo-4-methylphenoxy)methoxy]-1-methylbenzene is sourced from PubChem (CID 166607692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).