1-(2-bromo-4-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol

C15H12BrCl2FO — CID 63410897

IUPAC1-(2-bromo-4-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol
SMILESOC(Cc1ccc(Cl)c(Cl)c1)Cc1ccc(F)cc1Br
InChIInChI=1S/C15H12BrCl2FO/c16-13-8-11(19)3-2-10(13)7-12(20)5-9-1-4-14(17)15(18)6-9/h1-4,6,8,12,20H,5,7H2
InChIKeyCXCQFHQENYXGAR-UHFFFAOYSA-N
MW378.07 g/mol
LogP5.04
Rot. Bonds4

About 1-(2-bromo-4-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol

1-(2-bromo-4-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol (PubChem CID 63410897) has the molecular formula C15H12BrCl2FO and a molecular weight of 378.07 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol
PubChem CID63410897
Molecular FormulaC15H12BrCl2FO
Molecular Weight378.07 g/mol
Exact Mass375.94
IUPAC Name1-(2-bromo-4-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol
SMILESOC(Cc1ccc(Cl)c(Cl)c1)Cc1ccc(F)cc1Br
InChIInChI=1S/C15H12BrCl2FO/c16-13-8-11(19)3-2-10(13)7-12(20)5-9-1-4-14(17)15(18)6-9/h1-4,6,8,12,20H,5,7H2
InChIKeyCXCQFHQENYXGAR-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-(3,4-dichlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-ol
CID 114347424
1-(2-bromo-4-fluorophenyl)-3-(2,4-difluorophenyl)propan-2-ol
CID 64561385
1-(2-chloro-4-fluorophenyl)-3-(4-chloro-3-fluorophenyl)propan-2-ol
CID 107884225
1-(2-bromo-4-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-one
CID 63409854
1-(3-bromo-2,6-difluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol
CID 106266420
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-(3,4-dichlorophenyl)-3-(4-ethylphenyl)propan-2-ol
CID 63410727
1-(2-chloro-5-fluorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 102617916
2-(2-bromo-4-fluorophenyl)-1-(2,4-dichlorophenyl)ethanol
CID 65150787
2-(2-bromo-4-fluorophenyl)-1-(4-chloro-2,5-difluorophenyl)ethanol
CID 115786975
1-(2-bromo-5-fluorophenyl)-3-(3,4-dichlorophenyl)-N-methylpropan-2-amine
CID 63415665

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol (CID 63410897) is 1-(2-bromo-4-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol is OC(Cc1ccc(Cl)c(Cl)c1)Cc1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol?
The InChIKey is CXCQFHQENYXGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrCl2FO/c16-13-8-11(19)3-2-10(13)7-12(20)5-9-1-4-14(17)15(18)6-9/h1-4,6,8,12,20H,5,7H2.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol?
1-(2-bromo-4-fluorophenyl)-3-(3,4-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-4-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol is sourced from PubChem (CID 63410897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).