1-bromo-4-[2-[2-(4-bromophenyl)ethoxy]ethyl]benzene

C16H16Br2O — CID 23212442

IUPAC1-bromo-4-[2-[2-(4-bromophenyl)ethoxy]ethyl]benzene
SMILESBrc1ccc(CCOCCc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H16Br2O/c17-15-5-1-13(2-6-15)9-11-19-12-10-14-3-7-16(18)8-4-14/h1-8H,9-12H2
InChIKeyQAWAXJFLSJQGCI-UHFFFAOYSA-N
MW384.11 g/mol
LogP5.01
Rot. Bonds6

About 1-bromo-4-[2-[2-(4-bromophenyl)ethoxy]ethyl]benzene

1-bromo-4-[2-[2-(4-bromophenyl)ethoxy]ethyl]benzene (PubChem CID 23212442) has the molecular formula C16H16Br2O and a molecular weight of 384.11 g/mol. Its IUPAC name is 1-bromo-4-[2-[2-(4-bromophenyl)ethoxy]ethyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[2-[2-(4-bromophenyl)ethoxy]ethyl]benzene
PubChem CID23212442
Molecular FormulaC16H16Br2O
Molecular Weight384.11 g/mol
Exact Mass381.96
IUPAC Name1-bromo-4-[2-[2-(4-bromophenyl)ethoxy]ethyl]benzene
SMILESBrc1ccc(CCOCCc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H16Br2O/c17-15-5-1-13(2-6-15)9-11-19-12-10-14-3-7-16(18)8-4-14/h1-8H,9-12H2
InChIKeyQAWAXJFLSJQGCI-UHFFFAOYSA-N
XLogP5.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.11
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[2-[2-(4-bromophenyl)ethoxy]ethyl]benzene?
The IUPAC name of 1-bromo-4-[2-[2-(4-bromophenyl)ethoxy]ethyl]benzene (CID 23212442) is 1-bromo-4-[2-[2-(4-bromophenyl)ethoxy]ethyl]benzene.
What is the SMILES notation for 1-bromo-4-[2-[2-(4-bromophenyl)ethoxy]ethyl]benzene?
The canonical SMILES for 1-bromo-4-[2-[2-(4-bromophenyl)ethoxy]ethyl]benzene is Brc1ccc(CCOCCc2ccc(Br)cc2)cc1.
What is the InChIKey of 1-bromo-4-[2-[2-(4-bromophenyl)ethoxy]ethyl]benzene?
The InChIKey is QAWAXJFLSJQGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2O/c17-15-5-1-13(2-6-15)9-11-19-12-10-14-3-7-16(18)8-4-14/h1-8H,9-12H2.
What are the key properties of 1-bromo-4-[2-[2-(4-bromophenyl)ethoxy]ethyl]benzene?
1-bromo-4-[2-[2-(4-bromophenyl)ethoxy]ethyl]benzene has a molecular weight of 384.11 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[2-[2-(4-bromophenyl)ethoxy]ethyl]benzene is sourced from PubChem (CID 23212442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).