2-(3-bromo-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanol

C15H12BrF3O2 — CID 115779451

IUPAC2-(3-bromo-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanol
SMILESCOc1ccc(CC(O)c2c(F)cc(F)cc2F)cc1Br
InChIInChI=1S/C15H12BrF3O2/c1-21-14-3-2-8(4-10(14)16)5-13(20)15-11(18)6-9(17)7-12(15)19/h2-4,6-7,13,20H,5H2,1H3
InChIKeyADWHABAZNSIIPK-UHFFFAOYSA-N
MW361.16 g/mol
LogP4.15
Rot. Bonds4

About 2-(3-bromo-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanol

2-(3-bromo-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanol (PubChem CID 115779451) has the molecular formula C15H12BrF3O2 and a molecular weight of 361.16 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanol
PubChem CID115779451
Molecular FormulaC15H12BrF3O2
Molecular Weight361.16 g/mol
Exact Mass360.00
IUPAC Name2-(3-bromo-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanol
SMILESCOc1ccc(CC(O)c2c(F)cc(F)cc2F)cc1Br
InChIInChI=1S/C15H12BrF3O2/c1-21-14-3-2-8(4-10(14)16)5-13(20)15-11(18)6-9(17)7-12(15)19/h2-4,6-7,13,20H,5H2,1H3
InChIKeyADWHABAZNSIIPK-UHFFFAOYSA-N
XLogP4.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.16
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-fluorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol
CID 63893179
2-(3-bromo-4-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanol
CID 115779414
2-(3-bromo-4-methoxyphenyl)-1-(2-chloro-3-fluorophenyl)ethanol
CID 115779483
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915
1-(3-bromo-4-methoxyphenyl)-3-(3,4-difluorophenyl)propan-2-amine
CID 115818090
2-(3-bromo-4-methoxyphenyl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 115779535
1-(3-bromo-4-methoxyphenyl)-3,4-dimethylpentan-2-ol
CID 115779394
2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethanol
CID 63893838
2-bromo-4-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-1-methoxybenzene
CID 66035027
1-(2,6-difluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanol
CID 61099781
2-(3-fluoro-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 115829866
2-[(3-bromo-4-methoxyphenyl)-chloromethyl]-1,3,5-trifluorobenzene
CID 63429962

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanol?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanol (CID 115779451) is 2-(3-bromo-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanol.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanol?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanol is COc1ccc(CC(O)c2c(F)cc(F)cc2F)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanol?
The InChIKey is ADWHABAZNSIIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF3O2/c1-21-14-3-2-8(4-10(14)16)5-13(20)15-11(18)6-9(17)7-12(15)19/h2-4,6-7,13,20H,5H2,1H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanol?
2-(3-bromo-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanol has a molecular weight of 361.16 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanol is sourced from PubChem (CID 115779451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).