2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-methylphenyl)ethanol

C15H12Br2F2O — CID 106274418

IUPAC2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-methylphenyl)ethanol
SMILESCc1c(Br)cccc1C(O)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C15H12Br2F2O/c1-8-9(3-2-4-11(8)16)14(20)7-10-13(18)6-5-12(17)15(10)19/h2-6,14,20H,7H2,1H3
InChIKeyYAVVGFDOJQVCAY-UHFFFAOYSA-N
MW406.06 g/mol
LogP5.07
Rot. Bonds3

About 2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-methylphenyl)ethanol

2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-methylphenyl)ethanol (PubChem CID 106274418) has the molecular formula C15H12Br2F2O and a molecular weight of 406.06 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-methylphenyl)ethanol
PubChem CID106274418
Molecular FormulaC15H12Br2F2O
Molecular Weight406.06 g/mol
Exact Mass403.92
IUPAC Name2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-methylphenyl)ethanol
SMILESCc1c(Br)cccc1C(O)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C15H12Br2F2O/c1-8-9(3-2-4-11(8)16)14(20)7-10-13(18)6-5-12(17)15(10)19/h2-6,14,20H,7H2,1H3
InChIKeyYAVVGFDOJQVCAY-UHFFFAOYSA-N
XLogP5.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.06
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromo-2-chlorophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanol
CID 106274383
2-(3-bromo-2,6-difluorophenyl)-1-(2-chloro-3-methylphenyl)ethanol
CID 106274368
1-(3-bromo-2-methylphenyl)-2-(4-chloro-2-fluorophenyl)ethanol
CID 115839758
2-(3-bromo-2,6-difluorophenyl)-1-(2,3-dimethylphenyl)ethanamine
CID 106273742
2-(3-bromo-2,6-difluorophenyl)-1-(2-bromo-3-methylphenyl)-N-methylethanamine
CID 106273943
1-(3-bromo-2,6-difluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 106274453
2-(3-bromo-2,6-difluorophenyl)-1-(3,4-dibromophenyl)ethanol
CID 106265752
1-(3-bromo-2,6-difluorophenyl)-3-phenylpropan-2-ol
CID 106265334
2-(3-bromo-2,6-difluorophenyl)-1-(2-iodo-3-methylphenyl)-N-methylethanamine
CID 106274245
2-(3-bromo-2,6-difluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 106266939
1-(3-bromo-2-methylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol
CID 115832418
2-(3-bromo-2,6-difluorophenyl)-1-(1H-imidazol-2-yl)ethanol
CID 106266549

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-methylphenyl)ethanol?
The IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-methylphenyl)ethanol (CID 106274418) is 2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-methylphenyl)ethanol.
What is the SMILES notation for 2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-methylphenyl)ethanol?
The canonical SMILES for 2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-methylphenyl)ethanol is Cc1c(Br)cccc1C(O)Cc1c(F)ccc(Br)c1F.
What is the InChIKey of 2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-methylphenyl)ethanol?
The InChIKey is YAVVGFDOJQVCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2F2O/c1-8-9(3-2-4-11(8)16)14(20)7-10-13(18)6-5-12(17)15(10)19/h2-6,14,20H,7H2,1H3.
What are the key properties of 2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-methylphenyl)ethanol?
2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-methylphenyl)ethanol has a molecular weight of 406.06 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-methylphenyl)ethanol is sourced from PubChem (CID 106274418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).