1-(2-bromo-5-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-ol

C15H12BrCl2FO — CID 63410719

IUPAC1-(2-bromo-5-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-ol
SMILESOC(Cc1cc(F)ccc1Br)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H12BrCl2FO/c16-13-5-4-10(19)6-9(13)7-11(20)8-12-14(17)2-1-3-15(12)18/h1-6,11,20H,7-8H2
InChIKeyZPXONMAUYLOLRD-UHFFFAOYSA-N
MW378.07 g/mol
LogP5.04
Rot. Bonds4

About 1-(2-bromo-5-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-ol

1-(2-bromo-5-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-ol (PubChem CID 63410719) has the molecular formula C15H12BrCl2FO and a molecular weight of 378.07 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-ol
PubChem CID63410719
Molecular FormulaC15H12BrCl2FO
Molecular Weight378.07 g/mol
Exact Mass375.94
IUPAC Name1-(2-bromo-5-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-ol
SMILESOC(Cc1cc(F)ccc1Br)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H12BrCl2FO/c16-13-5-4-10(19)6-9(13)7-11(20)8-12-14(17)2-1-3-15(12)18/h1-6,11,20H,7-8H2
InChIKeyZPXONMAUYLOLRD-UHFFFAOYSA-N
XLogP5.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.07
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-5-fluorophenyl)-3-phenylpropan-2-ol
CID 62607777
1-(2-bromo-5-fluorophenyl)-3-(4-fluorophenyl)propan-2-ol
CID 62608381
1-(2-bromo-4-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-ol
CID 115786894
1-(3-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine
CID 115843513
1-(2-bromo-5-fluorophenyl)-4-methylpentan-2-ol
CID 62606118
1-(2,3-dichlorophenyl)-3-(2,4-difluorophenyl)propan-2-ol
CID 107308144
1-(2-bromo-5-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 102867515
1-(2-bromo-5-fluorophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one
CID 63410030
1-(2-bromo-5-fluorophenyl)-3-methoxypropan-2-ol
CID 62608798
1-(3-chloro-4-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-ol
CID 103039559
1-(5-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanol
CID 115787558
1-(2-bromo-5-fluorophenyl)-3-(3-bromophenyl)sulfanylpropan-2-ol
CID 66161561

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-ol?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-ol (CID 63410719) is 1-(2-bromo-5-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-ol.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-ol?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-ol is OC(Cc1cc(F)ccc1Br)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-ol?
The InChIKey is ZPXONMAUYLOLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrCl2FO/c16-13-5-4-10(19)6-9(13)7-11(20)8-12-14(17)2-1-3-15(12)18/h1-6,11,20H,7-8H2.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-ol?
1-(2-bromo-5-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-ol has a molecular weight of 378.07 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-ol is sourced from PubChem (CID 63410719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).