2-bromo-4-[bromo-(3,4-dimethylphenyl)methyl]-1-methoxybenzene

C16H16Br2O — CID 55198539

IUPAC2-bromo-4-[bromo-(3,4-dimethylphenyl)methyl]-1-methoxybenzene
SMILESCOc1ccc(C(Br)c2ccc(C)c(C)c2)cc1Br
InChIInChI=1S/C16H16Br2O/c1-10-4-5-12(8-11(10)2)16(18)13-6-7-15(19-3)14(17)9-13/h4-9,16H,1-3H3
InChIKeyDLKZRNINBBWZMC-UHFFFAOYSA-N
MW384.11 g/mol
LogP5.56
Rot. Bonds3

About 2-bromo-4-[bromo-(3,4-dimethylphenyl)methyl]-1-methoxybenzene

2-bromo-4-[bromo-(3,4-dimethylphenyl)methyl]-1-methoxybenzene (PubChem CID 55198539) has the molecular formula C16H16Br2O and a molecular weight of 384.11 g/mol. Its IUPAC name is 2-bromo-4-[bromo-(3,4-dimethylphenyl)methyl]-1-methoxybenzene.

Molecular Properties

Compound Name2-bromo-4-[bromo-(3,4-dimethylphenyl)methyl]-1-methoxybenzene
PubChem CID55198539
Molecular FormulaC16H16Br2O
Molecular Weight384.11 g/mol
Exact Mass381.96
IUPAC Name2-bromo-4-[bromo-(3,4-dimethylphenyl)methyl]-1-methoxybenzene
SMILESCOc1ccc(C(Br)c2ccc(C)c(C)c2)cc1Br
InChIInChI=1S/C16H16Br2O/c1-10-4-5-12(8-11(10)2)16(18)13-6-7-15(19-3)14(17)9-13/h4-9,16H,1-3H3
InChIKeyDLKZRNINBBWZMC-UHFFFAOYSA-N
XLogP5.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.11
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-[bromo-(4-methylphenyl)methyl]-1-methoxybenzene
CID 63435883
2-bromo-4-[bromo-(3,4-dimethylphenyl)methyl]-1-ethoxybenzene
CID 104661680
2-bromo-4-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-1-methoxybenzene
CID 63435707
5-[bromo-(3-bromo-4-methoxyphenyl)methyl]-1,2,3-trifluorobenzene
CID 63435205
N-[(3-bromo-4-methoxyphenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 43487806
2-bromo-4-[chloro-(4-methoxy-3-methylphenyl)methyl]-1-methoxybenzene
CID 63434744
(3-bromo-4-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61080516
1,4-dibromo-2-[bromo-(3-bromo-4-methoxyphenyl)methyl]benzene
CID 63438155
bromo-(3-bromo-4-methoxyphenyl)methanamine
CID 116947586
1-bromo-3-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-chlorobenzene
CID 107957792
1-bromo-4-[bromo-(4-methoxy-3-methylphenyl)methyl]-2-fluorobenzene
CID 63442700
2-bromo-4-(1-bromo-2-methylbutyl)-1-methoxybenzene
CID 63436190

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[bromo-(3,4-dimethylphenyl)methyl]-1-methoxybenzene?
The IUPAC name of 2-bromo-4-[bromo-(3,4-dimethylphenyl)methyl]-1-methoxybenzene (CID 55198539) is 2-bromo-4-[bromo-(3,4-dimethylphenyl)methyl]-1-methoxybenzene.
What is the SMILES notation for 2-bromo-4-[bromo-(3,4-dimethylphenyl)methyl]-1-methoxybenzene?
The canonical SMILES for 2-bromo-4-[bromo-(3,4-dimethylphenyl)methyl]-1-methoxybenzene is COc1ccc(C(Br)c2ccc(C)c(C)c2)cc1Br.
What is the InChIKey of 2-bromo-4-[bromo-(3,4-dimethylphenyl)methyl]-1-methoxybenzene?
The InChIKey is DLKZRNINBBWZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2O/c1-10-4-5-12(8-11(10)2)16(18)13-6-7-15(19-3)14(17)9-13/h4-9,16H,1-3H3.
What are the key properties of 2-bromo-4-[bromo-(3,4-dimethylphenyl)methyl]-1-methoxybenzene?
2-bromo-4-[bromo-(3,4-dimethylphenyl)methyl]-1-methoxybenzene has a molecular weight of 384.11 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[bromo-(3,4-dimethylphenyl)methyl]-1-methoxybenzene is sourced from PubChem (CID 55198539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).