1-(3-bromo-2,6-difluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol

C15H11BrCl2F2O — CID 106266420

IUPAC1-(3-bromo-2,6-difluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol
SMILESOC(Cc1ccc(Cl)c(Cl)c1)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C15H11BrCl2F2O/c16-11-2-4-14(19)10(15(11)20)7-9(21)5-8-1-3-12(17)13(18)6-8/h1-4,6,9,21H,5,7H2
InChIKeyGBLMNMYLJAHNKT-UHFFFAOYSA-N
MW396.06 g/mol
LogP5.18
Rot. Bonds4

About 1-(3-bromo-2,6-difluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol

1-(3-bromo-2,6-difluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol (PubChem CID 106266420) has the molecular formula C15H11BrCl2F2O and a molecular weight of 396.06 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol
PubChem CID106266420
Molecular FormulaC15H11BrCl2F2O
Molecular Weight396.06 g/mol
Exact Mass393.93
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol
SMILESOC(Cc1ccc(Cl)c(Cl)c1)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C15H11BrCl2F2O/c16-11-2-4-14(19)10(15(11)20)7-9(21)5-8-1-3-12(17)13(18)6-8/h1-4,6,9,21H,5,7H2
InChIKeyGBLMNMYLJAHNKT-UHFFFAOYSA-N
XLogP5.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.06
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(3-bromo-2,6-difluorophenyl)-3-(3,4-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-bromo-2,6-difluorophenyl)-3-(3-chlorophenyl)propan-2-ol
CID 106266378
1-(3-bromo-2,6-difluorophenyl)-2-(3,4-dichlorophenyl)ethanol
CID 106941955
1-(3-bromo-2,6-difluorophenyl)-3-pyridin-4-ylpropan-2-ol
CID 106266424
1-(3-bromo-2,6-difluorophenyl)-3-phenylpropan-2-ol
CID 106265334
1-(2-bromo-4-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol
CID 63410897
2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol
CID 106266541
1-(3-bromo-2,6-difluorophenyl)-3-(6-methoxy-3-pyridinyl)propan-2-ol
CID 106266545
1-(3-bromo-2,6-difluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 106274453
1-(3-chloro-4-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-ol
CID 103039559
1-(3-bromo-2,6-difluorophenyl)-4-(4-methylphenyl)butan-2-ol
CID 106274397
2-(3-bromo-2,6-difluorophenyl)-1-(3,4-dibromophenyl)ethanol
CID 106265752
[2-(3-bromo-2,6-difluorophenyl)-1-(2,5-dichlorophenyl)ethyl]hydrazine
CID 106271954

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol (CID 106266420) is 1-(3-bromo-2,6-difluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol is OC(Cc1ccc(Cl)c(Cl)c1)Cc1c(F)ccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol?
The InChIKey is GBLMNMYLJAHNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrCl2F2O/c16-11-2-4-14(19)10(15(11)20)7-9(21)5-8-1-3-12(17)13(18)6-8/h1-4,6,9,21H,5,7H2.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol?
1-(3-bromo-2,6-difluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol has a molecular weight of 396.06 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,6-difluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol is sourced from PubChem (CID 106266420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).