(4R)-2-(4-bromothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol

C13H10BrClO2S — CID 104949114

IUPAC(4R)-2-(4-bromothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@@H]1CC(c2cc(Br)cs2)Oc2ccc(Cl)cc21
InChIInChI=1S/C13H10BrClO2S/c14-7-3-13(18-6-7)12-5-10(16)9-4-8(15)1-2-11(9)17-12/h1-4,6,10,12,16H,5H2/t10-,12?/m1/s1
InChIKeyKUDBFDFBXVNGBS-RWANSRKNSA-N
MW345.65 g/mol
LogP4.72
Rot. Bonds1

About (4R)-2-(4-bromothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol

(4R)-2-(4-bromothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104949114) has the molecular formula C13H10BrClO2S and a molecular weight of 345.65 g/mol. Its IUPAC name is (4R)-2-(4-bromothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4R)-2-(4-bromothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
PubChem CID104949114
Molecular FormulaC13H10BrClO2S
Molecular Weight345.65 g/mol
Exact Mass343.93
IUPAC Name(4R)-2-(4-bromothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@@H]1CC(c2cc(Br)cs2)Oc2ccc(Cl)cc21
InChIInChI=1S/C13H10BrClO2S/c14-7-3-13(18-6-7)12-5-10(16)9-4-8(15)1-2-11(9)17-12/h1-4,6,10,12,16H,5H2/t10-,12?/m1/s1
InChIKeyKUDBFDFBXVNGBS-RWANSRKNSA-N
XLogP4.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.65
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 102845999
2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 102845967
(4S)-6-chloro-2-thiophen-3-yl-3,4-dihydro-2H-chromen-4-ol
CID 104949002
2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 114714436
(4R)-2-(2-bromo-4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950362
6-chloro-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol
CID 114714492
2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715019
6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714604
(4S)-6-chloro-2-(3,4-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104948892
6-chloro-2-(3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714427
(4R)-6-chloro-2-(3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949116
(4R)-2-(2-tert-butyl-1,3-thiazol-4-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 104949096

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(4-bromothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4R)-2-(4-bromothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol (CID 104949114) is (4R)-2-(4-bromothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4R)-2-(4-bromothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4R)-2-(4-bromothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol is O[C@@H]1CC(c2cc(Br)cs2)Oc2ccc(Cl)cc21.
What is the InChIKey of (4R)-2-(4-bromothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is KUDBFDFBXVNGBS-RWANSRKNSA-N. The full InChI is InChI=1S/C13H10BrClO2S/c14-7-3-13(18-6-7)12-5-10(16)9-4-8(15)1-2-11(9)17-12/h1-4,6,10,12,16H,5H2/t10-,12?/m1/s1.
What are the key properties of (4R)-2-(4-bromothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol?
(4R)-2-(4-bromothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 345.65 g/mol, XLogP of 4.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(4-bromothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104949114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).