(4S)-2-(4-bromo-3-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol

C15H11BrF2O2 — CID 104948186

IUPAC(4S)-2-(4-bromo-3-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@H]1CC(c2ccc(Br)c(F)c2)Oc2ccc(F)cc21
InChIInChI=1S/C15H11BrF2O2/c16-11-3-1-8(5-12(11)18)15-7-13(19)10-6-9(17)2-4-14(10)20-15/h1-6,13,15,19H,7H2/t13-,15?/m0/s1
InChIKeyRNICMXSUZRKWMU-CFMCSPIPSA-N
MW341.15 g/mol
LogP4.28
Rot. Bonds1

About (4S)-2-(4-bromo-3-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol

(4S)-2-(4-bromo-3-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104948186) has the molecular formula C15H11BrF2O2 and a molecular weight of 341.15 g/mol. Its IUPAC name is (4S)-2-(4-bromo-3-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4S)-2-(4-bromo-3-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
PubChem CID104948186
Molecular FormulaC15H11BrF2O2
Molecular Weight341.15 g/mol
Exact Mass339.99
IUPAC Name(4S)-2-(4-bromo-3-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@H]1CC(c2ccc(Br)c(F)c2)Oc2ccc(F)cc21
InChIInChI=1S/C15H11BrF2O2/c16-11-3-1-8(5-12(11)18)15-7-13(19)10-6-9(17)2-4-14(10)20-15/h1-6,13,15,19H,7H2/t13-,15?/m0/s1
InChIKeyRNICMXSUZRKWMU-CFMCSPIPSA-N
XLogP4.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.15
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-3-methylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114714057
6-fluoro-2-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714043
2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 114714436
2-(3-chloro-4-hydroxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114714106
(4S)-6-fluoro-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104948023
(4S)-6-bromo-2-(2,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951176
6-bromo-2-(2,4-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715629
(4R)-6-bromo-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951446
(4S)-2-(3,5-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948056
(4S)-6-chloro-2-(3,4-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104948892
(4S)-2-(3-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948114
6-chloro-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714517

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(4-bromo-3-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4S)-2-(4-bromo-3-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol (CID 104948186) is (4S)-2-(4-bromo-3-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4S)-2-(4-bromo-3-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4S)-2-(4-bromo-3-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol is O[C@H]1CC(c2ccc(Br)c(F)c2)Oc2ccc(F)cc21.
What is the InChIKey of (4S)-2-(4-bromo-3-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is RNICMXSUZRKWMU-CFMCSPIPSA-N. The full InChI is InChI=1S/C15H11BrF2O2/c16-11-3-1-8(5-12(11)18)15-7-13(19)10-6-9(17)2-4-14(10)20-15/h1-6,13,15,19H,7H2/t13-,15?/m0/s1.
What are the key properties of (4S)-2-(4-bromo-3-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol?
(4S)-2-(4-bromo-3-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 341.15 g/mol, XLogP of 4.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(4-bromo-3-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104948186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).