1,3-dibromo-5-[bromo-(5-bromo-2-ethoxyphenyl)methyl]benzene

C15H12Br4O — CID 107980915

IUPAC1,3-dibromo-5-[bromo-(5-bromo-2-ethoxyphenyl)methyl]benzene
SMILESCCOc1ccc(Br)cc1C(Br)c1cc(Br)cc(Br)c1
InChIInChI=1S/C15H12Br4O/c1-2-20-14-4-3-10(16)8-13(14)15(19)9-5-11(17)7-12(18)6-9/h3-8,15H,2H2,1H3
InChIKeyGXMAFQZJSBOZRL-UHFFFAOYSA-N
MW527.88 g/mol
LogP6.86
Rot. Bonds4

About 1,3-dibromo-5-[bromo-(5-bromo-2-ethoxyphenyl)methyl]benzene

1,3-dibromo-5-[bromo-(5-bromo-2-ethoxyphenyl)methyl]benzene (PubChem CID 107980915) has the molecular formula C15H12Br4O and a molecular weight of 527.88 g/mol. Its IUPAC name is 1,3-dibromo-5-[bromo-(5-bromo-2-ethoxyphenyl)methyl]benzene.

Molecular Properties

Compound Name1,3-dibromo-5-[bromo-(5-bromo-2-ethoxyphenyl)methyl]benzene
PubChem CID107980915
Molecular FormulaC15H12Br4O
Molecular Weight527.88 g/mol
Exact Mass523.76
IUPAC Name1,3-dibromo-5-[bromo-(5-bromo-2-ethoxyphenyl)methyl]benzene
SMILESCCOc1ccc(Br)cc1C(Br)c1cc(Br)cc(Br)c1
InChIInChI=1S/C15H12Br4O/c1-2-20-14-4-3-10(16)8-13(14)15(19)9-5-11(17)7-12(18)6-9/h3-8,15H,2H2,1H3
InChIKeyGXMAFQZJSBOZRL-UHFFFAOYSA-N
XLogP6.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.88
LogP ≤ 56.86
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-bromo-3-[bromo-(5-bromo-2-ethoxyphenyl)methyl]-5-fluorobenzene
CID 63442914
4-bromo-2-[bromo-(3-chloro-4-iodophenyl)methyl]-1-ethoxybenzene
CID 103211002
(5-bromo-2-ethoxyphenyl)-(4-bromophenyl)methanol
CID 61081643
5-[bromo-(5-bromo-2-ethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63442832
1-(5-bromo-2-ethoxyphenyl)propan-1-amine
CID 43243938
2-[bromo-(5-bromo-2-ethoxyphenyl)methyl]-1,3,5-trifluorobenzene
CID 65100839
(5-bromo-2-ethoxyphenyl)-(3-bromophenyl)methanol
CID 61082247
2,5-dibromo-3-[bromo-(5-bromo-2-ethoxyphenyl)methyl]thiophene
CID 107964720
(1S)-1-(5-bromo-2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171226068
4-bromo-2-[bromo(cyclopropyl)methyl]-1-ethoxybenzene
CID 63442485
1-bromo-3-[bromo-(5-bromo-2-methoxyphenyl)methyl]-5-methylbenzene
CID 113460992
1-(5-bromo-2-ethoxyphenyl)-2-methylpropan-1-amine
CID 43243937

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-5-[bromo-(5-bromo-2-ethoxyphenyl)methyl]benzene?
The IUPAC name of 1,3-dibromo-5-[bromo-(5-bromo-2-ethoxyphenyl)methyl]benzene (CID 107980915) is 1,3-dibromo-5-[bromo-(5-bromo-2-ethoxyphenyl)methyl]benzene.
What is the SMILES notation for 1,3-dibromo-5-[bromo-(5-bromo-2-ethoxyphenyl)methyl]benzene?
The canonical SMILES for 1,3-dibromo-5-[bromo-(5-bromo-2-ethoxyphenyl)methyl]benzene is CCOc1ccc(Br)cc1C(Br)c1cc(Br)cc(Br)c1.
What is the InChIKey of 1,3-dibromo-5-[bromo-(5-bromo-2-ethoxyphenyl)methyl]benzene?
The InChIKey is GXMAFQZJSBOZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br4O/c1-2-20-14-4-3-10(16)8-13(14)15(19)9-5-11(17)7-12(18)6-9/h3-8,15H,2H2,1H3.
What are the key properties of 1,3-dibromo-5-[bromo-(5-bromo-2-ethoxyphenyl)methyl]benzene?
1,3-dibromo-5-[bromo-(5-bromo-2-ethoxyphenyl)methyl]benzene has a molecular weight of 527.88 g/mol, XLogP of 6.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-5-[bromo-(5-bromo-2-ethoxyphenyl)methyl]benzene is sourced from PubChem (CID 107980915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).