2-[bromo-(4-bromo-2-methylphenyl)methyl]-1,4-dimethoxybenzene

C16H16Br2O2 — CID 63437065

IUPAC2-[bromo-(4-bromo-2-methylphenyl)methyl]-1,4-dimethoxybenzene
SMILESCOc1ccc(OC)c(C(Br)c2ccc(Br)cc2C)c1
InChIInChI=1S/C16H16Br2O2/c1-10-8-11(17)4-6-13(10)16(18)14-9-12(19-2)5-7-15(14)20-3/h4-9,16H,1-3H3
InChIKeyACTDIHSNMBVSAM-UHFFFAOYSA-N
MW400.11 g/mol
LogP5.26
Rot. Bonds4

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

2-[bromo-(4-bromo-2-methylphenyl)methyl]-1,4-dimethoxybenzene (PubChem CID 63437065) has the molecular formula C16H16Br2O2 and a molecular weight of 400.11 g/mol. Its IUPAC name is 2-[bromo-(4-bromo-2-methylphenyl)methyl]-1,4-dimethoxybenzene.

Molecular Properties

Compound Name2-[bromo-(4-bromo-2-methylphenyl)methyl]-1,4-dimethoxybenzene
PubChem CID63437065
Molecular FormulaC16H16Br2O2
Molecular Weight400.11 g/mol
Exact Mass397.95
IUPAC Name2-[bromo-(4-bromo-2-methylphenyl)methyl]-1,4-dimethoxybenzene
SMILESCOc1ccc(OC)c(C(Br)c2ccc(Br)cc2C)c1
InChIInChI=1S/C16H16Br2O2/c1-10-8-11(17)4-6-13(10)16(18)14-9-12(19-2)5-7-15(14)20-3/h4-9,16H,1-3H3
InChIKeyACTDIHSNMBVSAM-UHFFFAOYSA-N
XLogP5.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.11
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[bromo-(4-bromo-2-methoxyphenyl)methyl]-1,4-dimethoxybenzene
CID 115369851
1-[bromo-(2-methoxy-5-methylphenyl)methyl]-4-methoxy-2-methylbenzene
CID 63438493
2,4-dibromo-1-[bromo-(4-methoxy-2-methylphenyl)methyl]benzene
CID 107958215
1-[bromo-(2,5-dimethoxyphenyl)methyl]-2-chloro-4-methylbenzene
CID 106863008
(5-bromo-2-methoxyphenyl)-(4-methoxy-2-methylphenyl)methanol
CID 65313436
5-[bromo-(2,5-dimethoxyphenyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 65296664
1-[bromo-(4-chloro-2-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene
CID 63438278
2-[bromo-(2,5-dimethoxyphenyl)methyl]-3-methylfuran
CID 61096479
2-[bromo-(2,5-dimethoxyphenyl)methyl]-3-methylthiophene
CID 61096679
4-bromo-1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2-methylbenzene
CID 63439369
1-[bromo-(5-bromo-2-methylphenyl)methyl]-2-chloro-4-methoxybenzene
CID 65311705
1-[bromo-(5-bromo-2-methoxyphenyl)methyl]-4-chloro-2-methoxybenzene
CID 63435485

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(4-bromo-2-methylphenyl)methyl]-1,4-dimethoxybenzene?
The IUPAC name of 2-[bromo-(4-bromo-2-methylphenyl)methyl]-1,4-dimethoxybenzene (CID 63437065) is 2-[bromo-(4-bromo-2-methylphenyl)methyl]-1,4-dimethoxybenzene.
What is the SMILES notation for 2-[bromo-(4-bromo-2-methylphenyl)methyl]-1,4-dimethoxybenzene?
The canonical SMILES for 2-[bromo-(4-bromo-2-methylphenyl)methyl]-1,4-dimethoxybenzene is COc1ccc(OC)c(C(Br)c2ccc(Br)cc2C)c1.
What is the InChIKey of 2-[bromo-(4-bromo-2-methylphenyl)methyl]-1,4-dimethoxybenzene?
The InChIKey is ACTDIHSNMBVSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2O2/c1-10-8-11(17)4-6-13(10)16(18)14-9-12(19-2)5-7-15(14)20-3/h4-9,16H,1-3H3.
What are the key properties of 2-[bromo-(4-bromo-2-methylphenyl)methyl]-1,4-dimethoxybenzene?
2-[bromo-(4-bromo-2-methylphenyl)methyl]-1,4-dimethoxybenzene has a molecular weight of 400.11 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(4-bromo-2-methylphenyl)methyl]-1,4-dimethoxybenzene is sourced from PubChem (CID 63437065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).