1-bromo-4-[[2-bromo-1-(4-methylphenyl)ethoxy]methyl]benzene

C16H16Br2O — CID 71492889

IUPAC1-bromo-4-[[2-bromo-1-(4-methylphenyl)ethoxy]methyl]benzene
SMILESCc1ccc(C(CBr)OCc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H16Br2O/c1-12-2-6-14(7-3-12)16(10-17)19-11-13-4-8-15(18)9-5-13/h2-9,16H,10-11H2,1H3
InChIKeyNYHVOOGBJCQFNZ-UHFFFAOYSA-N
MW384.11 g/mol
LogP5.41
Rot. Bonds5

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

1-bromo-4-[[2-bromo-1-(4-methylphenyl)ethoxy]methyl]benzene (PubChem CID 71492889) has the molecular formula C16H16Br2O and a molecular weight of 384.11 g/mol. Its IUPAC name is 1-bromo-4-[[2-bromo-1-(4-methylphenyl)ethoxy]methyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[[2-bromo-1-(4-methylphenyl)ethoxy]methyl]benzene
PubChem CID71492889
Molecular FormulaC16H16Br2O
Molecular Weight384.11 g/mol
Exact Mass381.96
IUPAC Name1-bromo-4-[[2-bromo-1-(4-methylphenyl)ethoxy]methyl]benzene
SMILESCc1ccc(C(CBr)OCc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H16Br2O/c1-12-2-6-14(7-3-12)16(10-17)19-11-13-4-8-15(18)9-5-13/h2-9,16H,10-11H2,1H3
InChIKeyNYHVOOGBJCQFNZ-UHFFFAOYSA-N
XLogP5.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.11
LogP ≤ 55.41
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-[2-bromo-1-[2-bromo-1-(4-methylphenyl)ethoxy]ethyl]-4-methylbenzene
CID 71492886
1-bromo-4-[[(2R,3R)-1,4-dibromo-3-[(4-bromophenyl)methoxy]butan-2-yl]oxymethyl]benzene
CID 132518009
1-[2-bromo-1-(2-propoxyethoxy)ethyl]-4-methylbenzene
CID 63684889
2-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)ethanamine
CID 65124981
1-bromo-4-[1-[(4-chlorophenyl)methoxy]-2-iodoethyl]benzene
CID 114774460
1-methyl-4-(1-phenylmethoxybut-3-enyl)benzene
CID 100950686
1-(2-bromo-1-propan-2-yloxyethyl)-4-methylbenzene
CID 62113839
2-[(4-bromophenyl)methoxy]-2-(4-chlorophenyl)-N-ethylethanamine
CID 82806329
1-bromo-3-[[2-bromo-1-(4-methoxyphenyl)ethoxy]methyl]benzene
CID 82831276
1-(difluoromethoxymethyl)-4-methylbenzene;ethane
CID 178015082
2-(4-bromophenyl)-N-ethyl-2-phenylmethoxyethanamine
CID 62107358
1-[2-bromo-1-(cyclopentylmethoxy)ethyl]-4-methylbenzene
CID 66321621

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[[2-bromo-1-(4-methylphenyl)ethoxy]methyl]benzene?
The IUPAC name of 1-bromo-4-[[2-bromo-1-(4-methylphenyl)ethoxy]methyl]benzene (CID 71492889) is 1-bromo-4-[[2-bromo-1-(4-methylphenyl)ethoxy]methyl]benzene.
What is the SMILES notation for 1-bromo-4-[[2-bromo-1-(4-methylphenyl)ethoxy]methyl]benzene?
The canonical SMILES for 1-bromo-4-[[2-bromo-1-(4-methylphenyl)ethoxy]methyl]benzene is Cc1ccc(C(CBr)OCc2ccc(Br)cc2)cc1.
What is the InChIKey of 1-bromo-4-[[2-bromo-1-(4-methylphenyl)ethoxy]methyl]benzene?
The InChIKey is NYHVOOGBJCQFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2O/c1-12-2-6-14(7-3-12)16(10-17)19-11-13-4-8-15(18)9-5-13/h2-9,16H,10-11H2,1H3.
What are the key properties of 1-bromo-4-[[2-bromo-1-(4-methylphenyl)ethoxy]methyl]benzene?
1-bromo-4-[[2-bromo-1-(4-methylphenyl)ethoxy]methyl]benzene has a molecular weight of 384.11 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[[2-bromo-1-(4-methylphenyl)ethoxy]methyl]benzene is sourced from PubChem (CID 71492889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).