2-(5-bromo-2-methoxyphenyl)-1-(2,4-dibromophenyl)ethanol

C15H13Br3O2 — CID 107947314

IUPAC2-(5-bromo-2-methoxyphenyl)-1-(2,4-dibromophenyl)ethanol
SMILESCOc1ccc(Br)cc1CC(O)c1ccc(Br)cc1Br
InChIInChI=1S/C15H13Br3O2/c1-20-15-5-3-10(16)6-9(15)7-14(19)12-4-2-11(17)8-13(12)18/h2-6,8,14,19H,7H2,1H3
InChIKeyLZHUEKYMCMCNAV-UHFFFAOYSA-N
MW464.98 g/mol
LogP5.26
Rot. Bonds4

About 2-(5-bromo-2-methoxyphenyl)-1-(2,4-dibromophenyl)ethanol

2-(5-bromo-2-methoxyphenyl)-1-(2,4-dibromophenyl)ethanol (PubChem CID 107947314) has the molecular formula C15H13Br3O2 and a molecular weight of 464.98 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-1-(2,4-dibromophenyl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-1-(2,4-dibromophenyl)ethanol
PubChem CID107947314
Molecular FormulaC15H13Br3O2
Molecular Weight464.98 g/mol
Exact Mass461.85
IUPAC Name2-(5-bromo-2-methoxyphenyl)-1-(2,4-dibromophenyl)ethanol
SMILESCOc1ccc(Br)cc1CC(O)c1ccc(Br)cc1Br
InChIInChI=1S/C15H13Br3O2/c1-20-15-5-3-10(16)6-9(15)7-14(19)12-4-2-11(17)8-13(12)18/h2-6,8,14,19H,7H2,1H3
InChIKeyLZHUEKYMCMCNAV-UHFFFAOYSA-N
XLogP5.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.98
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dibromophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 107947333
1-(2-bromo-4-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 115779284
1,2-bis(5-bromo-2-methoxyphenyl)ethanol
CID 63895550
2-(5-bromo-2-methoxyphenyl)-1-(3-bromo-2-methylphenyl)ethanol
CID 115779294
1-(2-aminophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 64832581
1-(5-bromo-2-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 63894596
1-(4-bromo-2-methylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 115788606
2-(5-bromo-2-methoxyphenyl)-1-(2,5-dichlorothiophen-3-yl)ethanol
CID 107969583
2-(5-bromo-2-methoxyphenyl)-1-(5-bromothiophen-3-yl)ethanol
CID 105081985
2-(5-bromo-2-methoxyphenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
CID 105082045
1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817615
1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 107947313

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(2,4-dibromophenyl)ethanol?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(2,4-dibromophenyl)ethanol (CID 107947314) is 2-(5-bromo-2-methoxyphenyl)-1-(2,4-dibromophenyl)ethanol.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-1-(2,4-dibromophenyl)ethanol?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-1-(2,4-dibromophenyl)ethanol is COc1ccc(Br)cc1CC(O)c1ccc(Br)cc1Br.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-1-(2,4-dibromophenyl)ethanol?
The InChIKey is LZHUEKYMCMCNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br3O2/c1-20-15-5-3-10(16)6-9(15)7-14(19)12-4-2-11(17)8-13(12)18/h2-6,8,14,19H,7H2,1H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-1-(2,4-dibromophenyl)ethanol?
2-(5-bromo-2-methoxyphenyl)-1-(2,4-dibromophenyl)ethanol has a molecular weight of 464.98 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-1-(2,4-dibromophenyl)ethanol is sourced from PubChem (CID 107947314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).