2-(3-bromo-4-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanol

C16H15BrF2O2 — CID 115779414

IUPAC2-(3-bromo-4-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanol
SMILESCOc1ccc(CC(O)c2cc(C)c(F)cc2F)cc1Br
InChIInChI=1S/C16H15BrF2O2/c1-9-5-11(14(19)8-13(9)18)15(20)7-10-3-4-16(21-2)12(17)6-10/h3-6,8,15,20H,7H2,1-2H3
InChIKeyIYDSSEUZOAIFGP-UHFFFAOYSA-N
MW357.19 g/mol
LogP4.32
Rot. Bonds4

About 2-(3-bromo-4-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanol

2-(3-bromo-4-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanol (PubChem CID 115779414) has the molecular formula C16H15BrF2O2 and a molecular weight of 357.19 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanol
PubChem CID115779414
Molecular FormulaC16H15BrF2O2
Molecular Weight357.19 g/mol
Exact Mass356.02
IUPAC Name2-(3-bromo-4-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanol
SMILESCOc1ccc(CC(O)c2cc(C)c(F)cc2F)cc1Br
InChIInChI=1S/C16H15BrF2O2/c1-9-5-11(14(19)8-13(9)18)15(20)7-10-3-4-16(21-2)12(17)6-10/h3-6,8,15,20H,7H2,1-2H3
InChIKeyIYDSSEUZOAIFGP-UHFFFAOYSA-N
XLogP4.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.19
LogP ≤ 54.32
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-(5-bromo-2-methylphenyl)ethanol
CID 115779364
2-(3-bromo-4-methoxyphenyl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 115779535
2-(3-bromo-4-methoxyphenyl)-1-(2-chloro-3-fluorophenyl)ethanol
CID 115779483
2-(3-bromo-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanol
CID 115779451
3-(3-bromo-4-methoxyphenyl)-2-(2-fluorophenyl)propan-1-ol
CID 79449548
[2-(3-bromo-4-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine
CID 105203976
1-(2,4-difluoro-5-methylphenyl)-2-phenylethanol
CID 79731266
1-(3-bromo-2-chlorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol
CID 115779442
1-(2-fluoro-4,5-dimethoxyphenyl)-2-(4-methylphenyl)ethanol
CID 62865520
2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-5-methylphenyl)ethanol
CID 115779493
1-(2-bromo-4,5-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol
CID 61087578

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanol?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanol (CID 115779414) is 2-(3-bromo-4-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanol.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanol?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanol is COc1ccc(CC(O)c2cc(C)c(F)cc2F)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanol?
The InChIKey is IYDSSEUZOAIFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrF2O2/c1-9-5-11(14(19)8-13(9)18)15(20)7-10-3-4-16(21-2)12(17)6-10/h3-6,8,15,20H,7H2,1-2H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanol?
2-(3-bromo-4-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanol has a molecular weight of 357.19 g/mol, XLogP of 4.32, 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-difluoro-5-methylphenyl)ethanol is sourced from PubChem (CID 115779414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).