2-(5-bromo-2-methoxyphenyl)-1-(3-bromo-2-methylphenyl)ethanol

C16H16Br2O2 — CID 115779294

IUPAC2-(5-bromo-2-methoxyphenyl)-1-(3-bromo-2-methylphenyl)ethanol
SMILESCOc1ccc(Br)cc1CC(O)c1cccc(Br)c1C
InChIInChI=1S/C16H16Br2O2/c1-10-13(4-3-5-14(10)18)15(19)9-11-8-12(17)6-7-16(11)20-2/h3-8,15,19H,9H2,1-2H3
InChIKeyUGXXTUSXAQLBGS-UHFFFAOYSA-N
MW400.11 g/mol
LogP4.80
Rot. Bonds4

About 2-(5-bromo-2-methoxyphenyl)-1-(3-bromo-2-methylphenyl)ethanol

2-(5-bromo-2-methoxyphenyl)-1-(3-bromo-2-methylphenyl)ethanol (PubChem CID 115779294) has the molecular formula C16H16Br2O2 and a molecular weight of 400.11 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-1-(3-bromo-2-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-1-(3-bromo-2-methylphenyl)ethanol
PubChem CID115779294
Molecular FormulaC16H16Br2O2
Molecular Weight400.11 g/mol
Exact Mass397.95
IUPAC Name2-(5-bromo-2-methoxyphenyl)-1-(3-bromo-2-methylphenyl)ethanol
SMILESCOc1ccc(Br)cc1CC(O)c1cccc(Br)c1C
InChIInChI=1S/C16H16Br2O2/c1-10-13(4-3-5-14(10)18)15(19)9-11-8-12(17)6-7-16(11)20-2/h3-8,15,19H,9H2,1-2H3
InChIKeyUGXXTUSXAQLBGS-UHFFFAOYSA-N
XLogP4.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.11
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-bis(5-bromo-2-methoxyphenyl)ethanol
CID 63895550
2-(5-bromo-2-methoxyphenyl)-1-(2,4-dibromophenyl)ethanol
CID 107947314
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-(2,4-dibromophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 107947333
1-(2-bromo-4-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 115779284
2-(5-bromo-2-methoxyphenyl)-1-(2,5-dichlorothiophen-3-yl)ethanol
CID 107969583
1-(4-bromo-2-methylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 115788606
2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 115784994
[1-(3-bromo-2-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethyl]hydrazine
CID 105290179
2-(5-bromo-2-methoxyphenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
CID 105082045
2-(5-bromo-2-methoxyphenyl)-1-(2-bromo-3-methylphenyl)ethanamine
CID 107984787

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(3-bromo-2-methylphenyl)ethanol?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(3-bromo-2-methylphenyl)ethanol (CID 115779294) is 2-(5-bromo-2-methoxyphenyl)-1-(3-bromo-2-methylphenyl)ethanol.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-1-(3-bromo-2-methylphenyl)ethanol?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-1-(3-bromo-2-methylphenyl)ethanol is COc1ccc(Br)cc1CC(O)c1cccc(Br)c1C.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-1-(3-bromo-2-methylphenyl)ethanol?
The InChIKey is UGXXTUSXAQLBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2O2/c1-10-13(4-3-5-14(10)18)15(19)9-11-8-12(17)6-7-16(11)20-2/h3-8,15,19H,9H2,1-2H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-1-(3-bromo-2-methylphenyl)ethanol?
2-(5-bromo-2-methoxyphenyl)-1-(3-bromo-2-methylphenyl)ethanol has a molecular weight of 400.11 g/mol, XLogP of 4.80, 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-(3-bromo-2-methylphenyl)ethanol is sourced from PubChem (CID 115779294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).