[(2S)-4-bromo-5-chloro-6-fluoro-2-phenyl-3H-1-benzofuran-2-yl]methanol

C15H11BrClFO2 — CID 156855824

IUPAC[(2S)-4-bromo-5-chloro-6-fluoro-2-phenyl-3H-1-benzofuran-2-yl]methanol
SMILESOC[C@@]1(c2ccccc2)Cc2c(cc(F)c(Cl)c2Br)O1
InChIInChI=1S/C15H11BrClFO2/c16-13-10-7-15(8-19,9-4-2-1-3-5-9)20-12(10)6-11(18)14(13)17/h1-6,19H,7-8H2/t15-/m1/s1
InChIKeyXSWGVGAWSVTFDZ-OAHLLOKOSA-N
MW357.61 g/mol
LogP4.06
Rot. Bonds2

About [(2S)-4-bromo-5-chloro-6-fluoro-2-phenyl-3H-1-benzofuran-2-yl]methanol

[(2S)-4-bromo-5-chloro-6-fluoro-2-phenyl-3H-1-benzofuran-2-yl]methanol (PubChem CID 156855824) has the molecular formula C15H11BrClFO2 and a molecular weight of 357.61 g/mol. Its IUPAC name is [(2S)-4-bromo-5-chloro-6-fluoro-2-phenyl-3H-1-benzofuran-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-4-bromo-5-chloro-6-fluoro-2-phenyl-3H-1-benzofuran-2-yl]methanol
PubChem CID156855824
Molecular FormulaC15H11BrClFO2
Molecular Weight357.61 g/mol
Exact Mass355.96
IUPAC Name[(2S)-4-bromo-5-chloro-6-fluoro-2-phenyl-3H-1-benzofuran-2-yl]methanol
SMILESOC[C@@]1(c2ccccc2)Cc2c(cc(F)c(Cl)c2Br)O1
InChIInChI=1S/C15H11BrClFO2/c16-13-10-7-15(8-19,9-4-2-1-3-5-9)20-12(10)6-11(18)14(13)17/h1-6,19H,7-8H2/t15-/m1/s1
InChIKeyXSWGVGAWSVTFDZ-OAHLLOKOSA-N
XLogP4.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.61
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(2S)-4-bromo-5-chloro-6-fluoro-2-phenyl-3H-1-benzofuran-2-yl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-bromo-5-chloro-6-fluoro-2-phenyl-3H-1-benzofuran-2-yl]methanol?
The IUPAC name of [(2S)-4-bromo-5-chloro-6-fluoro-2-phenyl-3H-1-benzofuran-2-yl]methanol (CID 156855824) is [(2S)-4-bromo-5-chloro-6-fluoro-2-phenyl-3H-1-benzofuran-2-yl]methanol.
What is the SMILES notation for [(2S)-4-bromo-5-chloro-6-fluoro-2-phenyl-3H-1-benzofuran-2-yl]methanol?
The canonical SMILES for [(2S)-4-bromo-5-chloro-6-fluoro-2-phenyl-3H-1-benzofuran-2-yl]methanol is OC[C@@]1(c2ccccc2)Cc2c(cc(F)c(Cl)c2Br)O1.
What is the InChIKey of [(2S)-4-bromo-5-chloro-6-fluoro-2-phenyl-3H-1-benzofuran-2-yl]methanol?
The InChIKey is XSWGVGAWSVTFDZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H11BrClFO2/c16-13-10-7-15(8-19,9-4-2-1-3-5-9)20-12(10)6-11(18)14(13)17/h1-6,19H,7-8H2/t15-/m1/s1.
What are the key properties of [(2S)-4-bromo-5-chloro-6-fluoro-2-phenyl-3H-1-benzofuran-2-yl]methanol?
[(2S)-4-bromo-5-chloro-6-fluoro-2-phenyl-3H-1-benzofuran-2-yl]methanol has a molecular weight of 357.61 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-bromo-5-chloro-6-fluoro-2-phenyl-3H-1-benzofuran-2-yl]methanol is sourced from PubChem (CID 156855824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).