4-bromo-1-[4-bromo-2-(bromomethyl)phenoxy]-2-(bromomethyl)benzene

C14H10Br4O — CID 134894915

IUPAC4-bromo-1-[4-bromo-2-(bromomethyl)phenoxy]-2-(bromomethyl)benzene
SMILESBrCc1cc(Br)ccc1Oc1ccc(Br)cc1CBr
InChIInChI=1S/C14H10Br4O/c15-7-9-5-11(17)1-3-13(9)19-14-4-2-12(18)6-10(14)8-16/h1-6H,7-8H2
InChIKeyYQPSHPITJZYCQC-UHFFFAOYSA-N
MW513.85 g/mol
LogP6.79
Rot. Bonds4

About 4-bromo-1-[4-bromo-2-(bromomethyl)phenoxy]-2-(bromomethyl)benzene

4-bromo-1-[4-bromo-2-(bromomethyl)phenoxy]-2-(bromomethyl)benzene (PubChem CID 134894915) has the molecular formula C14H10Br4O and a molecular weight of 513.85 g/mol. Its IUPAC name is 4-bromo-1-[4-bromo-2-(bromomethyl)phenoxy]-2-(bromomethyl)benzene.

Molecular Properties

Compound Name4-bromo-1-[4-bromo-2-(bromomethyl)phenoxy]-2-(bromomethyl)benzene
PubChem CID134894915
Molecular FormulaC14H10Br4O
Molecular Weight513.85 g/mol
Exact Mass509.75
IUPAC Name4-bromo-1-[4-bromo-2-(bromomethyl)phenoxy]-2-(bromomethyl)benzene
SMILESBrCc1cc(Br)ccc1Oc1ccc(Br)cc1CBr
InChIInChI=1S/C14H10Br4O/c15-7-9-5-11(17)1-3-13(9)19-14-4-2-12(18)6-10(14)8-16/h1-6H,7-8H2
InChIKeyYQPSHPITJZYCQC-UHFFFAOYSA-N
XLogP6.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.85
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[4-bromo-2-(bromomethyl)phenoxy]-2-(bromomethyl)benzene?
The IUPAC name of 4-bromo-1-[4-bromo-2-(bromomethyl)phenoxy]-2-(bromomethyl)benzene (CID 134894915) is 4-bromo-1-[4-bromo-2-(bromomethyl)phenoxy]-2-(bromomethyl)benzene.
What is the SMILES notation for 4-bromo-1-[4-bromo-2-(bromomethyl)phenoxy]-2-(bromomethyl)benzene?
The canonical SMILES for 4-bromo-1-[4-bromo-2-(bromomethyl)phenoxy]-2-(bromomethyl)benzene is BrCc1cc(Br)ccc1Oc1ccc(Br)cc1CBr.
What is the InChIKey of 4-bromo-1-[4-bromo-2-(bromomethyl)phenoxy]-2-(bromomethyl)benzene?
The InChIKey is YQPSHPITJZYCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br4O/c15-7-9-5-11(17)1-3-13(9)19-14-4-2-12(18)6-10(14)8-16/h1-6H,7-8H2.
What are the key properties of 4-bromo-1-[4-bromo-2-(bromomethyl)phenoxy]-2-(bromomethyl)benzene?
4-bromo-1-[4-bromo-2-(bromomethyl)phenoxy]-2-(bromomethyl)benzene has a molecular weight of 513.85 g/mol, XLogP of 6.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[4-bromo-2-(bromomethyl)phenoxy]-2-(bromomethyl)benzene is sourced from PubChem (CID 134894915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).