1-(3,5-dibromophenyl)-2-(2,4,6-trimethylphenyl)ethanol

C17H18Br2O — CID 107978212

IUPAC1-(3,5-dibromophenyl)-2-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(C)c(CC(O)c2cc(Br)cc(Br)c2)c(C)c1
InChIInChI=1S/C17H18Br2O/c1-10-4-11(2)16(12(3)5-10)9-17(20)13-6-14(18)8-15(19)7-13/h4-8,17,20H,9H2,1-3H3
InChIKeyYBFXBYWNQAYSIU-UHFFFAOYSA-N
MW398.14 g/mol
LogP5.41
Rot. Bonds3

About 1-(3,5-dibromophenyl)-2-(2,4,6-trimethylphenyl)ethanol

1-(3,5-dibromophenyl)-2-(2,4,6-trimethylphenyl)ethanol (PubChem CID 107978212) has the molecular formula C17H18Br2O and a molecular weight of 398.14 g/mol. Its IUPAC name is 1-(3,5-dibromophenyl)-2-(2,4,6-trimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(3,5-dibromophenyl)-2-(2,4,6-trimethylphenyl)ethanol
PubChem CID107978212
Molecular FormulaC17H18Br2O
Molecular Weight398.14 g/mol
Exact Mass395.97
IUPAC Name1-(3,5-dibromophenyl)-2-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(C)c(CC(O)c2cc(Br)cc(Br)c2)c(C)c1
InChIInChI=1S/C17H18Br2O/c1-10-4-11(2)16(12(3)5-10)9-17(20)13-6-14(18)8-15(19)7-13/h4-8,17,20H,9H2,1-3H3
InChIKeyYBFXBYWNQAYSIU-UHFFFAOYSA-N
XLogP5.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.14
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 115781909
1-(5-bromothiophen-3-yl)-2-(2,4,6-trimethylphenyl)ethanol
CID 105084146
1-(3-chloro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 115781994
(3,5-dibromophenyl)-(2,4,6-trimethylphenyl)methanol
CID 107980714
1-(4-fluoro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 63410710
1-(3-bromo-5-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 115831119
3-methyl-4-(2,4,6-trimethylphenyl)butan-2-ol
CID 11229524
1-(4-bromophenyl)sulfanyl-3-(2,4,6-trimethylphenyl)propan-2-ol
CID 66056671
1-(3-bromo-5-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105373495
1-(3,5-dibromophenyl)butan-1-ol
CID 107978200
1-(3-bromo-5-methylphenyl)-4-ethylsulfonylbutan-1-ol
CID 115803665
1-(4-bromophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 55188112

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromophenyl)-2-(2,4,6-trimethylphenyl)ethanol?
The IUPAC name of 1-(3,5-dibromophenyl)-2-(2,4,6-trimethylphenyl)ethanol (CID 107978212) is 1-(3,5-dibromophenyl)-2-(2,4,6-trimethylphenyl)ethanol.
What is the SMILES notation for 1-(3,5-dibromophenyl)-2-(2,4,6-trimethylphenyl)ethanol?
The canonical SMILES for 1-(3,5-dibromophenyl)-2-(2,4,6-trimethylphenyl)ethanol is Cc1cc(C)c(CC(O)c2cc(Br)cc(Br)c2)c(C)c1.
What is the InChIKey of 1-(3,5-dibromophenyl)-2-(2,4,6-trimethylphenyl)ethanol?
The InChIKey is YBFXBYWNQAYSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Br2O/c1-10-4-11(2)16(12(3)5-10)9-17(20)13-6-14(18)8-15(19)7-13/h4-8,17,20H,9H2,1-3H3.
What are the key properties of 1-(3,5-dibromophenyl)-2-(2,4,6-trimethylphenyl)ethanol?
1-(3,5-dibromophenyl)-2-(2,4,6-trimethylphenyl)ethanol has a molecular weight of 398.14 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromophenyl)-2-(2,4,6-trimethylphenyl)ethanol is sourced from PubChem (CID 107978212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).