2-bromo-4-[bromo-(4-methylphenyl)methyl]-1-methoxybenzene

C15H14Br2O — CID 63435883

IUPAC2-bromo-4-[bromo-(4-methylphenyl)methyl]-1-methoxybenzene
SMILESCOc1ccc(C(Br)c2ccc(C)cc2)cc1Br
InChIInChI=1S/C15H14Br2O/c1-10-3-5-11(6-4-10)15(17)12-7-8-14(18-2)13(16)9-12/h3-9,15H,1-2H3
InChIKeyZBJZBMSXRIFBBV-UHFFFAOYSA-N
MW370.08 g/mol
LogP5.25
Rot. Bonds3

About 2-bromo-4-[bromo-(4-methylphenyl)methyl]-1-methoxybenzene

2-bromo-4-[bromo-(4-methylphenyl)methyl]-1-methoxybenzene (PubChem CID 63435883) has the molecular formula C15H14Br2O and a molecular weight of 370.08 g/mol. Its IUPAC name is 2-bromo-4-[bromo-(4-methylphenyl)methyl]-1-methoxybenzene.

Molecular Properties

Compound Name2-bromo-4-[bromo-(4-methylphenyl)methyl]-1-methoxybenzene
PubChem CID63435883
Molecular FormulaC15H14Br2O
Molecular Weight370.08 g/mol
Exact Mass367.94
IUPAC Name2-bromo-4-[bromo-(4-methylphenyl)methyl]-1-methoxybenzene
SMILESCOc1ccc(C(Br)c2ccc(C)cc2)cc1Br
InChIInChI=1S/C15H14Br2O/c1-10-3-5-11(6-4-10)15(17)12-7-8-14(18-2)13(16)9-12/h3-9,15H,1-2H3
InChIKeyZBJZBMSXRIFBBV-UHFFFAOYSA-N
XLogP5.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.08
LogP ≤ 55.25
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-(3,4-dimethylphenyl)methyl]-1-methoxybenzene
CID 55198539
5-[bromo-(3-bromo-4-methoxyphenyl)methyl]-1,2,3-trifluorobenzene
CID 63435205
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
2-bromo-4-[bromo-(4-methylphenyl)methyl]-1-chlorobenzene
CID 107991616
2-bromo-4-(1-bromo-2-methylbutyl)-1-methoxybenzene
CID 63436190
2-bromo-4-[chloro-(4-methoxy-3-methylphenyl)methyl]-1-methoxybenzene
CID 63434744
(3-bromo-4-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61080516
4-benzhydryl-2-bromo-1-methoxybenzene
CID 12672614
1-[bromo-(4-methoxyphenyl)methyl]-4-methylbenzene
CID 51340411
1-bromo-2-[(3-bromo-4-methoxyphenyl)-chloromethyl]-4-methylbenzene
CID 81111868

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[bromo-(4-methylphenyl)methyl]-1-methoxybenzene?
The IUPAC name of 2-bromo-4-[bromo-(4-methylphenyl)methyl]-1-methoxybenzene (CID 63435883) is 2-bromo-4-[bromo-(4-methylphenyl)methyl]-1-methoxybenzene.
What is the SMILES notation for 2-bromo-4-[bromo-(4-methylphenyl)methyl]-1-methoxybenzene?
The canonical SMILES for 2-bromo-4-[bromo-(4-methylphenyl)methyl]-1-methoxybenzene is COc1ccc(C(Br)c2ccc(C)cc2)cc1Br.
What is the InChIKey of 2-bromo-4-[bromo-(4-methylphenyl)methyl]-1-methoxybenzene?
The InChIKey is ZBJZBMSXRIFBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2O/c1-10-3-5-11(6-4-10)15(17)12-7-8-14(18-2)13(16)9-12/h3-9,15H,1-2H3.
What are the key properties of 2-bromo-4-[bromo-(4-methylphenyl)methyl]-1-methoxybenzene?
2-bromo-4-[bromo-(4-methylphenyl)methyl]-1-methoxybenzene has a molecular weight of 370.08 g/mol, XLogP of 5.25, 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-(4-methylphenyl)methyl]-1-methoxybenzene is sourced from PubChem (CID 63435883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).