2,4-dibromo-1-[bromo-(4-methoxy-2-methylphenyl)methyl]benzene

C15H13Br3O — CID 107958215

IUPAC2,4-dibromo-1-[bromo-(4-methoxy-2-methylphenyl)methyl]benzene
SMILESCOc1ccc(C(Br)c2ccc(Br)cc2Br)c(C)c1
InChIInChI=1S/C15H13Br3O/c1-9-7-11(19-2)4-6-12(9)15(18)13-5-3-10(16)8-14(13)17/h3-8,15H,1-2H3
InChIKeySMNUNUKVQSBZRL-UHFFFAOYSA-N
MW448.98 g/mol
LogP6.01
Rot. Bonds3

About 2,4-dibromo-1-[bromo-(4-methoxy-2-methylphenyl)methyl]benzene

2,4-dibromo-1-[bromo-(4-methoxy-2-methylphenyl)methyl]benzene (PubChem CID 107958215) has the molecular formula C15H13Br3O and a molecular weight of 448.98 g/mol. Its IUPAC name is 2,4-dibromo-1-[bromo-(4-methoxy-2-methylphenyl)methyl]benzene.

Molecular Properties

Compound Name2,4-dibromo-1-[bromo-(4-methoxy-2-methylphenyl)methyl]benzene
PubChem CID107958215
Molecular FormulaC15H13Br3O
Molecular Weight448.98 g/mol
Exact Mass445.85
IUPAC Name2,4-dibromo-1-[bromo-(4-methoxy-2-methylphenyl)methyl]benzene
SMILESCOc1ccc(C(Br)c2ccc(Br)cc2Br)c(C)c1
InChIInChI=1S/C15H13Br3O/c1-9-7-11(19-2)4-6-12(9)15(18)13-5-3-10(16)8-14(13)17/h3-8,15H,1-2H3
InChIKeySMNUNUKVQSBZRL-UHFFFAOYSA-N
XLogP6.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.98
LogP ≤ 56.01
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

(2,4-dibromophenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 107945310
2-[bromo-(4-bromo-2-methylphenyl)methyl]-1,4-dimethoxybenzene
CID 63437065
(2-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanamine
CID 107950477
2-bromo-1-[bromo-(3-bromo-4-methylphenyl)methyl]-4-methoxybenzene
CID 81476572
1-[bromo-(2-methoxy-5-methylphenyl)methyl]-4-methoxy-2-methylbenzene
CID 63438493
(2-bromo-4-methoxyphenyl)-(5-bromo-2-methylphenyl)methanamine
CID 65308241
1-[bromo-(5-bromo-2-methylphenyl)methyl]-2-chloro-4-methoxybenzene
CID 65311705
1-[bromo-(4-chloro-2-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene
CID 63438278
1-bromo-2-[bromo-(4-methoxy-2-methylphenyl)methyl]-3-fluorobenzene
CID 114560622
2,5-dibromo-3-[bromo-(2-bromo-4-methoxyphenyl)methyl]thiophene
CID 114021645
1-[bromo-(3,5-dichlorophenyl)methyl]-4-methoxy-2-methylbenzene
CID 63438831
(5-bromo-2-methoxyphenyl)-(4-methoxy-2-methylphenyl)methanol
CID 65313436

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-1-[bromo-(4-methoxy-2-methylphenyl)methyl]benzene?
The IUPAC name of 2,4-dibromo-1-[bromo-(4-methoxy-2-methylphenyl)methyl]benzene (CID 107958215) is 2,4-dibromo-1-[bromo-(4-methoxy-2-methylphenyl)methyl]benzene.
What is the SMILES notation for 2,4-dibromo-1-[bromo-(4-methoxy-2-methylphenyl)methyl]benzene?
The canonical SMILES for 2,4-dibromo-1-[bromo-(4-methoxy-2-methylphenyl)methyl]benzene is COc1ccc(C(Br)c2ccc(Br)cc2Br)c(C)c1.
What is the InChIKey of 2,4-dibromo-1-[bromo-(4-methoxy-2-methylphenyl)methyl]benzene?
The InChIKey is SMNUNUKVQSBZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br3O/c1-9-7-11(19-2)4-6-12(9)15(18)13-5-3-10(16)8-14(13)17/h3-8,15H,1-2H3.
What are the key properties of 2,4-dibromo-1-[bromo-(4-methoxy-2-methylphenyl)methyl]benzene?
2,4-dibromo-1-[bromo-(4-methoxy-2-methylphenyl)methyl]benzene has a molecular weight of 448.98 g/mol, XLogP of 6.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-1-[bromo-(4-methoxy-2-methylphenyl)methyl]benzene is sourced from PubChem (CID 107958215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).