2-bromo-4-(bromomethyl)-1-[(2,5-dimethylphenyl)methoxy]benzene

C16H16Br2O — CID 63534722

IUPAC2-bromo-4-(bromomethyl)-1-[(2,5-dimethylphenyl)methoxy]benzene
SMILESCc1ccc(C)c(COc2ccc(CBr)cc2Br)c1
InChIInChI=1S/C16H16Br2O/c1-11-3-4-12(2)14(7-11)10-19-16-6-5-13(9-17)8-15(16)18/h3-8H,9-10H2,1-2H3
InChIKeyQJQMFQGPPZSPLL-UHFFFAOYSA-N
MW384.11 g/mol
LogP5.54
Rot. Bonds4

About 2-bromo-4-(bromomethyl)-1-[(2,5-dimethylphenyl)methoxy]benzene

2-bromo-4-(bromomethyl)-1-[(2,5-dimethylphenyl)methoxy]benzene (PubChem CID 63534722) has the molecular formula C16H16Br2O and a molecular weight of 384.11 g/mol. Its IUPAC name is 2-bromo-4-(bromomethyl)-1-[(2,5-dimethylphenyl)methoxy]benzene.

Molecular Properties

Compound Name2-bromo-4-(bromomethyl)-1-[(2,5-dimethylphenyl)methoxy]benzene
PubChem CID63534722
Molecular FormulaC16H16Br2O
Molecular Weight384.11 g/mol
Exact Mass381.96
IUPAC Name2-bromo-4-(bromomethyl)-1-[(2,5-dimethylphenyl)methoxy]benzene
SMILESCc1ccc(C)c(COc2ccc(CBr)cc2Br)c1
InChIInChI=1S/C16H16Br2O/c1-11-3-4-12(2)14(7-11)10-19-16-6-5-13(9-17)8-15(16)18/h3-8H,9-10H2,1-2H3
InChIKeyQJQMFQGPPZSPLL-UHFFFAOYSA-N
XLogP5.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.11
LogP ≤ 55.54
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-(bromomethyl)-1-[(4-methylphenyl)methoxy]benzene
CID 63534889
2-bromo-1-[(2,5-dimethylphenyl)methoxy]-4-methoxybenzene
CID 104707496
2-[[4-(bromomethyl)-2-nitrophenoxy]methyl]-1,4-dimethylbenzene
CID 63535168
1-[[2-bromo-4-(bromomethyl)phenoxy]methyl]-3,5-dimethylbenzene
CID 63534399
3-bromo-4-[(2,5-dimethylphenyl)methoxy]benzoic acid
CID 45447581
2-(bromomethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene
CID 107698949
4-bromo-3-[(2,5-dimethylphenyl)methoxy]aniline
CID 103009356
2-(bromomethyl)-1-chloro-3-[(2,5-dimethylphenyl)methoxy]benzene
CID 113276988
1,4-dimethyl-2-[(2-methylphenoxy)methyl]benzene
CID 60627928
1-[3-bromo-4-[(2-chloro-4-methylphenyl)methoxy]phenyl]propan-2-amine
CID 106868969
N-[[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
CID 126127091
5-bromo-1-[(2,5-dimethylphenyl)methoxy]-2,3-difluorobenzene
CID 107098576

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(bromomethyl)-1-[(2,5-dimethylphenyl)methoxy]benzene?
The IUPAC name of 2-bromo-4-(bromomethyl)-1-[(2,5-dimethylphenyl)methoxy]benzene (CID 63534722) is 2-bromo-4-(bromomethyl)-1-[(2,5-dimethylphenyl)methoxy]benzene.
What is the SMILES notation for 2-bromo-4-(bromomethyl)-1-[(2,5-dimethylphenyl)methoxy]benzene?
The canonical SMILES for 2-bromo-4-(bromomethyl)-1-[(2,5-dimethylphenyl)methoxy]benzene is Cc1ccc(C)c(COc2ccc(CBr)cc2Br)c1.
What is the InChIKey of 2-bromo-4-(bromomethyl)-1-[(2,5-dimethylphenyl)methoxy]benzene?
The InChIKey is QJQMFQGPPZSPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2O/c1-11-3-4-12(2)14(7-11)10-19-16-6-5-13(9-17)8-15(16)18/h3-8H,9-10H2,1-2H3.
What are the key properties of 2-bromo-4-(bromomethyl)-1-[(2,5-dimethylphenyl)methoxy]benzene?
2-bromo-4-(bromomethyl)-1-[(2,5-dimethylphenyl)methoxy]benzene has a molecular weight of 384.11 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(bromomethyl)-1-[(2,5-dimethylphenyl)methoxy]benzene is sourced from PubChem (CID 63534722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).