1-[bromo-(5-bromo-2-methylphenyl)methyl]-2-chloro-4-methoxybenzene

C15H13Br2ClO — CID 65311705

IUPAC1-[bromo-(5-bromo-2-methylphenyl)methyl]-2-chloro-4-methoxybenzene
SMILESCOc1ccc(C(Br)c2cc(Br)ccc2C)c(Cl)c1
InChIInChI=1S/C15H13Br2ClO/c1-9-3-4-10(16)7-13(9)15(17)12-6-5-11(19-2)8-14(12)18/h3-8,15H,1-2H3
InChIKeyNYJFTZILABUFDF-UHFFFAOYSA-N
MW404.53 g/mol
LogP5.90
Rot. Bonds3

About 1-[bromo-(5-bromo-2-methylphenyl)methyl]-2-chloro-4-methoxybenzene

1-[bromo-(5-bromo-2-methylphenyl)methyl]-2-chloro-4-methoxybenzene (PubChem CID 65311705) has the molecular formula C15H13Br2ClO and a molecular weight of 404.53 g/mol. Its IUPAC name is 1-[bromo-(5-bromo-2-methylphenyl)methyl]-2-chloro-4-methoxybenzene.

Molecular Properties

Compound Name1-[bromo-(5-bromo-2-methylphenyl)methyl]-2-chloro-4-methoxybenzene
PubChem CID65311705
Molecular FormulaC15H13Br2ClO
Molecular Weight404.53 g/mol
Exact Mass401.90
IUPAC Name1-[bromo-(5-bromo-2-methylphenyl)methyl]-2-chloro-4-methoxybenzene
SMILESCOc1ccc(C(Br)c2cc(Br)ccc2C)c(Cl)c1
InChIInChI=1S/C15H13Br2ClO/c1-9-3-4-10(16)7-13(9)15(17)12-6-5-11(19-2)8-14(12)18/h3-8,15H,1-2H3
InChIKeyNYJFTZILABUFDF-UHFFFAOYSA-N
XLogP5.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.53
LogP ≤ 55.90
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

1-[bromo-(2,5-dimethylphenyl)methyl]-2-chloro-4-methoxybenzene
CID 63443615
1-[bromo-(5-bromo-2-methylphenyl)methyl]-2-chloro-4,5-dimethylbenzene
CID 113319646
1-[bromo-(4-bromo-2-chlorophenyl)methyl]-4,5-dimethoxy-2-methylbenzene
CID 63443430
1-[bromo-(4-methylphenyl)methyl]-2-chloro-4-methoxybenzene
CID 55197646
1-[bromo-(2,5-dimethoxyphenyl)methyl]-2-chloro-4-methylbenzene
CID 106863008
(2-bromo-4-methoxyphenyl)-(5-bromo-2-methylphenyl)methanamine
CID 65308241
1-[bromo-(4-fluoro-3-methylphenyl)methyl]-2-chloro-4-methoxybenzene
CID 63442538
2,4-dibromo-1-[bromo-(4-methoxy-2-methylphenyl)methyl]benzene
CID 107958215
(4-bromo-2-methoxyphenyl)-(2-chloro-4-methoxyphenyl)methanol
CID 115369750
2-bromo-4-[bromo-(2-chloro-4-methoxyphenyl)methyl]thiophene
CID 107964733
1-[bromo-(2,5-dimethylphenyl)methyl]-2,4-dimethoxybenzene
CID 63442063
2-[bromo-(4-bromo-2-methylphenyl)methyl]-1,4-dimethoxybenzene
CID 63437065

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(5-bromo-2-methylphenyl)methyl]-2-chloro-4-methoxybenzene?
The IUPAC name of 1-[bromo-(5-bromo-2-methylphenyl)methyl]-2-chloro-4-methoxybenzene (CID 65311705) is 1-[bromo-(5-bromo-2-methylphenyl)methyl]-2-chloro-4-methoxybenzene.
What is the SMILES notation for 1-[bromo-(5-bromo-2-methylphenyl)methyl]-2-chloro-4-methoxybenzene?
The canonical SMILES for 1-[bromo-(5-bromo-2-methylphenyl)methyl]-2-chloro-4-methoxybenzene is COc1ccc(C(Br)c2cc(Br)ccc2C)c(Cl)c1.
What is the InChIKey of 1-[bromo-(5-bromo-2-methylphenyl)methyl]-2-chloro-4-methoxybenzene?
The InChIKey is NYJFTZILABUFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2ClO/c1-9-3-4-10(16)7-13(9)15(17)12-6-5-11(19-2)8-14(12)18/h3-8,15H,1-2H3.
What are the key properties of 1-[bromo-(5-bromo-2-methylphenyl)methyl]-2-chloro-4-methoxybenzene?
1-[bromo-(5-bromo-2-methylphenyl)methyl]-2-chloro-4-methoxybenzene has a molecular weight of 404.53 g/mol, XLogP of 5.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(5-bromo-2-methylphenyl)methyl]-2-chloro-4-methoxybenzene is sourced from PubChem (CID 65311705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).