(4R)-6-bromo-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol

C15H11BrClFO2 — CID 104951446

IUPAC(4R)-6-bromo-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@@H]1CC(c2ccc(Cl)c(F)c2)Oc2ccc(Br)cc21
InChIInChI=1S/C15H11BrClFO2/c16-9-2-4-14-10(6-9)13(19)7-15(20-14)8-1-3-11(17)12(18)5-8/h1-6,13,15,19H,7H2/t13-,15?/m1/s1
InChIKeyIPZIUFPPCHKMCX-AFYYWNPRSA-N
MW357.61 g/mol
LogP4.80
Rot. Bonds1

About (4R)-6-bromo-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol

(4R)-6-bromo-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104951446) has the molecular formula C15H11BrClFO2 and a molecular weight of 357.61 g/mol. Its IUPAC name is (4R)-6-bromo-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4R)-6-bromo-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID104951446
Molecular FormulaC15H11BrClFO2
Molecular Weight357.61 g/mol
Exact Mass355.96
IUPAC Name(4R)-6-bromo-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@@H]1CC(c2ccc(Cl)c(F)c2)Oc2ccc(Br)cc21
InChIInChI=1S/C15H11BrClFO2/c16-9-2-4-14-10(6-9)13(19)7-15(20-14)8-1-3-11(17)12(18)5-8/h1-6,13,15,19H,7H2/t13-,15?/m1/s1
InChIKeyIPZIUFPPCHKMCX-AFYYWNPRSA-N
XLogP4.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.61
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-2-(3,4-dichlorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715570
6-chloro-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714517
(4S)-2-(4-chloro-3-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950609
(4R)-2-(4-chloro-3-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950383
(4R)-6-bromo-2-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951447
(4S)-6-chloro-2-(3,4-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104948892
2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 114714436
6-bromo-2-(2-chloro-6-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715610
(4S)-6-bromo-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951295
(4R)-2-(1,3-benzodioxol-5-yl)-6-bromo-3,4-dihydro-2H-chromen-4-ol
CID 104951434
(4S)-6-bromo-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951096
(4S)-2-(4-bromo-3-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948186

Frequently Asked Questions

What is the IUPAC name of (4R)-6-bromo-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4R)-6-bromo-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol (CID 104951446) is (4R)-6-bromo-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4R)-6-bromo-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4R)-6-bromo-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol is O[C@@H]1CC(c2ccc(Cl)c(F)c2)Oc2ccc(Br)cc21.
What is the InChIKey of (4R)-6-bromo-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is IPZIUFPPCHKMCX-AFYYWNPRSA-N. The full InChI is InChI=1S/C15H11BrClFO2/c16-9-2-4-14-10(6-9)13(19)7-15(20-14)8-1-3-11(17)12(18)5-8/h1-6,13,15,19H,7H2/t13-,15?/m1/s1.
What are the key properties of (4R)-6-bromo-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol?
(4R)-6-bromo-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 357.61 g/mol, XLogP of 4.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-bromo-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104951446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).