2-(5-bromo-2-methoxyphenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol

C16H15BrF2O2 — CID 115779347

IUPAC2-(5-bromo-2-methoxyphenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol
SMILESCOc1ccc(Br)cc1CC(O)c1c(F)ccc(C)c1F
InChIInChI=1S/C16H15BrF2O2/c1-9-3-5-12(18)15(16(9)19)13(20)8-10-7-11(17)4-6-14(10)21-2/h3-7,13,20H,8H2,1-2H3
InChIKeyPCIOWXCQJCASHU-UHFFFAOYSA-N
MW357.19 g/mol
LogP4.32
Rot. Bonds4

About 2-(5-bromo-2-methoxyphenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol

2-(5-bromo-2-methoxyphenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol (PubChem CID 115779347) has the molecular formula C16H15BrF2O2 and a molecular weight of 357.19 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol
PubChem CID115779347
Molecular FormulaC16H15BrF2O2
Molecular Weight357.19 g/mol
Exact Mass356.02
IUPAC Name2-(5-bromo-2-methoxyphenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol
SMILESCOc1ccc(Br)cc1CC(O)c1c(F)ccc(C)c1F
InChIInChI=1S/C16H15BrF2O2/c1-9-3-5-12(18)15(16(9)19)13(20)8-10-7-11(17)4-6-14(10)21-2/h3-7,13,20H,8H2,1-2H3
InChIKeyPCIOWXCQJCASHU-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

2-(4-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 115788594
2-(4-bromophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 82815992
1,2-bis(5-bromo-2-methoxyphenyl)ethanol
CID 63895550
2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 115784994
1-(4-bromo-2-methylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 115788606
1-(4-bromo-3,5-dimethylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 114330012
2-(5-bromo-2-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanol
CID 115784822
1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 63895079
1-(2-bromo-4-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 115779284
2-(5-bromo-2-methoxyphenyl)-1-(2,4-dibromophenyl)ethanol
CID 107947314
(5-bromo-2-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 82814873
N-[(5-bromo-2-methoxyphenyl)methyl]-2,6-difluoro-3-methylaniline
CID 82818043

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol (CID 115779347) is 2-(5-bromo-2-methoxyphenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol is COc1ccc(Br)cc1CC(O)c1c(F)ccc(C)c1F.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol?
The InChIKey is PCIOWXCQJCASHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrF2O2/c1-9-3-5-12(18)15(16(9)19)13(20)8-10-7-11(17)4-6-14(10)21-2/h3-7,13,20H,8H2,1-2H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol?
2-(5-bromo-2-methoxyphenyl)-1-(2,6-difluoro-3-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-(5-bromo-2-methoxyphenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol is sourced from PubChem (CID 115779347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).