(4S)-6-bromo-2-(2,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol

C15H11BrF2O2 — CID 104951176

IUPAC(4S)-6-bromo-2-(2,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@H]1CC(c2cc(F)ccc2F)Oc2ccc(Br)cc21
InChIInChI=1S/C15H11BrF2O2/c16-8-1-4-14-11(5-8)13(19)7-15(20-14)10-6-9(17)2-3-12(10)18/h1-6,13,15,19H,7H2/t13-,15?/m0/s1
InChIKeyNDRSTTRHIIYWNH-CFMCSPIPSA-N
MW341.15 g/mol
LogP4.28
Rot. Bonds1

About (4S)-6-bromo-2-(2,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol

(4S)-6-bromo-2-(2,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104951176) has the molecular formula C15H11BrF2O2 and a molecular weight of 341.15 g/mol. Its IUPAC name is (4S)-6-bromo-2-(2,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4S)-6-bromo-2-(2,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID104951176
Molecular FormulaC15H11BrF2O2
Molecular Weight341.15 g/mol
Exact Mass339.99
IUPAC Name(4S)-6-bromo-2-(2,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@H]1CC(c2cc(F)ccc2F)Oc2ccc(Br)cc21
InChIInChI=1S/C15H11BrF2O2/c16-8-1-4-14-11(5-8)13(19)7-15(20-14)10-6-9(17)2-3-12(10)18/h1-6,13,15,19H,7H2/t13-,15?/m0/s1
InChIKeyNDRSTTRHIIYWNH-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

6-bromo-2-(2,4-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715629
(4S)-2-(2,5-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950561
(4S)-2-(5-bromo-2-methoxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948223
6-bromo-2-(2,5-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114713236
(4S)-7-bromo-2-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104980275
(4R)-6-bromo-2-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951447
(4S)-2-(4-bromo-3-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948186
6-fluoro-2-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714043
(4R)-6-bromo-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951446
(4R)-2-(4-bromo-2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104951757
6-bromo-2-(2-chloro-6-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715610
(4R)-2-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948273

Frequently Asked Questions

What is the IUPAC name of (4S)-6-bromo-2-(2,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4S)-6-bromo-2-(2,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol (CID 104951176) is (4S)-6-bromo-2-(2,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4S)-6-bromo-2-(2,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4S)-6-bromo-2-(2,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol is O[C@H]1CC(c2cc(F)ccc2F)Oc2ccc(Br)cc21.
What is the InChIKey of (4S)-6-bromo-2-(2,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is NDRSTTRHIIYWNH-CFMCSPIPSA-N. The full InChI is InChI=1S/C15H11BrF2O2/c16-8-1-4-14-11(5-8)13(19)7-15(20-14)10-6-9(17)2-3-12(10)18/h1-6,13,15,19H,7H2/t13-,15?/m0/s1.
What are the key properties of (4S)-6-bromo-2-(2,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol?
(4S)-6-bromo-2-(2,5-difluorophenyl)-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)-6-bromo-2-(2,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104951176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).