1-bromo-2-[2-(2-bromophenyl)ethoxymethyl]benzene

C15H14Br2O — CID 67392887

IUPAC1-bromo-2-[2-(2-bromophenyl)ethoxymethyl]benzene
SMILESBrc1ccccc1CCOCc1ccccc1Br
InChIInChI=1S/C15H14Br2O/c16-14-7-3-1-5-12(14)9-10-18-11-13-6-2-4-8-15(13)17/h1-8H,9-11H2
InChIKeyLFZGDSAMQSJFLV-UHFFFAOYSA-N
MW370.08 g/mol
LogP4.97
Rot. Bonds5

About 1-bromo-2-[2-(2-bromophenyl)ethoxymethyl]benzene

1-bromo-2-[2-(2-bromophenyl)ethoxymethyl]benzene (PubChem CID 67392887) has the molecular formula C15H14Br2O and a molecular weight of 370.08 g/mol. Its IUPAC name is 1-bromo-2-[2-(2-bromophenyl)ethoxymethyl]benzene.

Molecular Properties

Compound Name1-bromo-2-[2-(2-bromophenyl)ethoxymethyl]benzene
PubChem CID67392887
Molecular FormulaC15H14Br2O
Molecular Weight370.08 g/mol
Exact Mass367.94
IUPAC Name1-bromo-2-[2-(2-bromophenyl)ethoxymethyl]benzene
SMILESBrc1ccccc1CCOCc1ccccc1Br
InChIInChI=1S/C15H14Br2O/c16-14-7-3-1-5-12(14)9-10-18-11-13-6-2-4-8-15(13)17/h1-8H,9-11H2
InChIKeyLFZGDSAMQSJFLV-UHFFFAOYSA-N
XLogP4.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.08
LogP ≤ 54.97
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[2-(2-bromophenyl)ethoxymethyl]benzene?
The IUPAC name of 1-bromo-2-[2-(2-bromophenyl)ethoxymethyl]benzene (CID 67392887) is 1-bromo-2-[2-(2-bromophenyl)ethoxymethyl]benzene.
What is the SMILES notation for 1-bromo-2-[2-(2-bromophenyl)ethoxymethyl]benzene?
The canonical SMILES for 1-bromo-2-[2-(2-bromophenyl)ethoxymethyl]benzene is Brc1ccccc1CCOCc1ccccc1Br.
What is the InChIKey of 1-bromo-2-[2-(2-bromophenyl)ethoxymethyl]benzene?
The InChIKey is LFZGDSAMQSJFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2O/c16-14-7-3-1-5-12(14)9-10-18-11-13-6-2-4-8-15(13)17/h1-8H,9-11H2.
What are the key properties of 1-bromo-2-[2-(2-bromophenyl)ethoxymethyl]benzene?
1-bromo-2-[2-(2-bromophenyl)ethoxymethyl]benzene has a molecular weight of 370.08 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[2-(2-bromophenyl)ethoxymethyl]benzene is sourced from PubChem (CID 67392887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).