2-(4-bromo-3-chloro-2-fluorophenyl)-1-phenylbutan-2-ol

C16H15BrClFO — CID 106761419

IUPAC2-(4-bromo-3-chloro-2-fluorophenyl)-1-phenylbutan-2-ol
SMILESCCC(O)(Cc1ccccc1)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C16H15BrClFO/c1-2-16(20,10-11-6-4-3-5-7-11)12-8-9-13(17)14(18)15(12)19/h3-9,20H,2,10H2,1H3
InChIKeyPUFKWPQLGMOAGW-UHFFFAOYSA-N
MW357.65 g/mol
LogP5.08
Rot. Bonds4

About 2-(4-bromo-3-chloro-2-fluorophenyl)-1-phenylbutan-2-ol

2-(4-bromo-3-chloro-2-fluorophenyl)-1-phenylbutan-2-ol (PubChem CID 106761419) has the molecular formula C16H15BrClFO and a molecular weight of 357.65 g/mol. Its IUPAC name is 2-(4-bromo-3-chloro-2-fluorophenyl)-1-phenylbutan-2-ol.

Molecular Properties

Compound Name2-(4-bromo-3-chloro-2-fluorophenyl)-1-phenylbutan-2-ol
PubChem CID106761419
Molecular FormulaC16H15BrClFO
Molecular Weight357.65 g/mol
Exact Mass356.00
IUPAC Name2-(4-bromo-3-chloro-2-fluorophenyl)-1-phenylbutan-2-ol
SMILESCCC(O)(Cc1ccccc1)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C16H15BrClFO/c1-2-16(20,10-11-6-4-3-5-7-11)12-8-9-13(17)14(18)15(12)19/h3-9,20H,2,10H2,1H3
InChIKeyPUFKWPQLGMOAGW-UHFFFAOYSA-N
XLogP5.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.65
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-(4-bromo-3-chloro-2-fluorophenyl)-1-phenylbutan-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-(4-bromo-3-chloro-2-fluorophenyl)-2-methoxy-1-phenylethanol
CID 106761585
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(2-fluorophenyl)propan-1-amine
CID 106761671
2-(2,6-difluoro-3-methylphenyl)-1-phenylbutan-2-ol
CID 82819467
2-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-fluorophenyl)propan-2-amine
CID 106761676
2-(3,4-difluorophenyl)-1-phenylbutan-2-ol
CID 79008246
2-(5-fluoro-2-methoxyphenyl)-1-phenylbutan-2-ol
CID 82769735
2-(4-bromo-3-chloro-2-fluorophenyl)-1-(propylamino)propan-2-ol
CID 106763756
(2S)-1-(4-chlorophenyl)-2-phenylbutan-2-ol
CID 93325474
3-[6-bromo-2-fluoro-3-(trifluoromethyl)phenyl]pentan-3-ol
CID 171367511
(4-bromo-3-chloro-2-fluorophenyl)-dicyclopropylmethanol
CID 112743426
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-methylphenyl)ethanol
CID 106761227
1-phenyl-2-quinolin-8-ylbutan-2-ol
CID 81196654

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-chloro-2-fluorophenyl)-1-phenylbutan-2-ol?
The IUPAC name of 2-(4-bromo-3-chloro-2-fluorophenyl)-1-phenylbutan-2-ol (CID 106761419) is 2-(4-bromo-3-chloro-2-fluorophenyl)-1-phenylbutan-2-ol.
What is the SMILES notation for 2-(4-bromo-3-chloro-2-fluorophenyl)-1-phenylbutan-2-ol?
The canonical SMILES for 2-(4-bromo-3-chloro-2-fluorophenyl)-1-phenylbutan-2-ol is CCC(O)(Cc1ccccc1)c1ccc(Br)c(Cl)c1F.
What is the InChIKey of 2-(4-bromo-3-chloro-2-fluorophenyl)-1-phenylbutan-2-ol?
The InChIKey is PUFKWPQLGMOAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClFO/c1-2-16(20,10-11-6-4-3-5-7-11)12-8-9-13(17)14(18)15(12)19/h3-9,20H,2,10H2,1H3.
What are the key properties of 2-(4-bromo-3-chloro-2-fluorophenyl)-1-phenylbutan-2-ol?
2-(4-bromo-3-chloro-2-fluorophenyl)-1-phenylbutan-2-ol has a molecular weight of 357.65 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-chloro-2-fluorophenyl)-1-phenylbutan-2-ol is sourced from PubChem (CID 106761419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).