(4S)-2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol

C13H9BrCl2O2S — CID 102845999

IUPAC(4S)-2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@H]1CC(c2cc(Br)c(Cl)s2)Oc2ccc(Cl)cc21
InChIInChI=1S/C13H9BrCl2O2S/c14-8-4-12(19-13(8)16)11-5-9(17)7-3-6(15)1-2-10(7)18-11/h1-4,9,11,17H,5H2/t9-,11?/m0/s1
InChIKeyIWBOQSWZXCSJAH-FTNKSUMCSA-N
MW380.09 g/mol
LogP5.37
Rot. Bonds1

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

(4S)-2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol (PubChem CID 102845999) has the molecular formula C13H9BrCl2O2S and a molecular weight of 380.09 g/mol. Its IUPAC name is (4S)-2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4S)-2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
PubChem CID102845999
Molecular FormulaC13H9BrCl2O2S
Molecular Weight380.09 g/mol
Exact Mass377.89
IUPAC Name(4S)-2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@H]1CC(c2cc(Br)c(Cl)s2)Oc2ccc(Cl)cc21
InChIInChI=1S/C13H9BrCl2O2S/c14-8-4-12(19-13(8)16)11-5-9(17)7-3-6(15)1-2-10(7)18-11/h1-4,9,11,17H,5H2/t9-,11?/m0/s1
InChIKeyIWBOQSWZXCSJAH-FTNKSUMCSA-N
XLogP5.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.09
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol with MolForge

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Related Compounds

2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 102845967
(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 102846110
(4R)-2-(4-bromothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 104949114
(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 102846024
(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 102846033
(4R)-2-(2-bromo-4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950362
2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 114714436
(4R)-2-(4,5-dibromothiophen-2-yl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 102846013
(4S)-2-(4,5-dibromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol
CID 102846009
2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715019
6-bromo-2-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 102846162
6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714604

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4S)-2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol (CID 102845999) is (4S)-2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4S)-2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4S)-2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol is O[C@H]1CC(c2cc(Br)c(Cl)s2)Oc2ccc(Cl)cc21.
What is the InChIKey of (4S)-2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is IWBOQSWZXCSJAH-FTNKSUMCSA-N. The full InChI is InChI=1S/C13H9BrCl2O2S/c14-8-4-12(19-13(8)16)11-5-9(17)7-3-6(15)1-2-10(7)18-11/h1-4,9,11,17H,5H2/t9-,11?/m0/s1.
What are the key properties of (4S)-2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol?
(4S)-2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 380.09 g/mol, XLogP of 5.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 102845999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).