1-(3-bromo-5-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-ol

C15H12BrCl2FO — CID 79701916

IUPAC1-(3-bromo-5-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-ol
SMILESOC(Cc1cc(F)cc(Br)c1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12BrCl2FO/c16-11-3-9(4-13(19)7-11)5-14(20)6-10-1-2-12(17)8-15(10)18/h1-4,7-8,14,20H,5-6H2
InChIKeyVHRRYIWEZQBJAB-UHFFFAOYSA-N
MW378.07 g/mol
LogP5.04
Rot. Bonds4

About 1-(3-bromo-5-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-ol

1-(3-bromo-5-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-ol (PubChem CID 79701916) has the molecular formula C15H12BrCl2FO and a molecular weight of 378.07 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-ol
PubChem CID79701916
Molecular FormulaC15H12BrCl2FO
Molecular Weight378.07 g/mol
Exact Mass375.94
IUPAC Name1-(3-bromo-5-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-ol
SMILESOC(Cc1cc(F)cc(Br)c1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12BrCl2FO/c16-11-3-9(4-13(19)7-11)5-14(20)6-10-1-2-12(17)8-15(10)18/h1-4,7-8,14,20H,5-6H2
InChIKeyVHRRYIWEZQBJAB-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

Analyze 1-(3-bromo-5-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromophenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 60798840
1,3-bis(2,4-dichlorophenyl)propan-2-ol
CID 63410533
1-(2,5-dichlorophenyl)-3-(3,5-difluorophenyl)propan-2-ol
CID 65321219
1-(2,4-dichlorophenyl)-3-(3,4-difluorophenyl)propan-2-ol
CID 82920805
1-(3-bromo-5-fluorophenyl)-3-(4-fluorophenyl)propan-2-ol
CID 79701664
1-(2,4-dichlorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 60798841
1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 106867255
2-(3-bromo-5-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol
CID 79786869
2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanol
CID 79702768
1-(2,4-dichlorophenyl)butan-2-ol;methanol
CID 144705825
1-(3-bromo-5-fluorophenyl)-3-(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine
CID 79699824
1-(2-chloro-4-fluorophenyl)-3-(4-chloro-3-fluorophenyl)propan-2-ol
CID 107884225

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-ol?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-ol (CID 79701916) is 1-(3-bromo-5-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-ol.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-ol?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-ol is OC(Cc1cc(F)cc(Br)c1)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-ol?
The InChIKey is VHRRYIWEZQBJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrCl2FO/c16-11-3-9(4-13(19)7-11)5-14(20)6-10-1-2-12(17)8-15(10)18/h1-4,7-8,14,20H,5-6H2.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-ol?
1-(3-bromo-5-fluorophenyl)-3-(2,4-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-(3-bromo-5-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-ol is sourced from PubChem (CID 79701916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).