(4S)-6-chloro-2-thiophen-3-yl-3,4-dihydro-2H-chromen-4-ol

C13H11ClO2S — CID 104949002

IUPAC(4S)-6-chloro-2-thiophen-3-yl-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@H]1CC(c2ccsc2)Oc2ccc(Cl)cc21
InChIInChI=1S/C13H11ClO2S/c14-9-1-2-12-10(5-9)11(15)6-13(16-12)8-3-4-17-7-8/h1-5,7,11,13,15H,6H2/t11-,13?/m0/s1
InChIKeySMSNGLDJPHCWEJ-AMGKYWFPSA-N
MW266.75 g/mol
LogP3.96
Rot. Bonds1

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

(4S)-6-chloro-2-thiophen-3-yl-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104949002) has the molecular formula C13H11ClO2S and a molecular weight of 266.75 g/mol. Its IUPAC name is (4S)-6-chloro-2-thiophen-3-yl-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4S)-6-chloro-2-thiophen-3-yl-3,4-dihydro-2H-chromen-4-ol
PubChem CID104949002
Molecular FormulaC13H11ClO2S
Molecular Weight266.75 g/mol
Exact Mass266.02
IUPAC Name(4S)-6-chloro-2-thiophen-3-yl-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@H]1CC(c2ccsc2)Oc2ccc(Cl)cc21
InChIInChI=1S/C13H11ClO2S/c14-9-1-2-12-10(5-9)11(15)6-13(16-12)8-3-4-17-7-8/h1-5,7,11,13,15H,6H2/t11-,13?/m0/s1
InChIKeySMSNGLDJPHCWEJ-AMGKYWFPSA-N
XLogP3.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714604
(4R)-2-(4-bromothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 104949114
(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
6-chloro-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714517
2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 114714436
6-chloro-2-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 106819475
(4R)-6-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104949177
2-(4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 114715194
(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

Frequently Asked Questions

What is the IUPAC name of (4S)-6-chloro-2-thiophen-3-yl-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4S)-6-chloro-2-thiophen-3-yl-3,4-dihydro-2H-chromen-4-ol (CID 104949002) is (4S)-6-chloro-2-thiophen-3-yl-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4S)-6-chloro-2-thiophen-3-yl-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4S)-6-chloro-2-thiophen-3-yl-3,4-dihydro-2H-chromen-4-ol is O[C@H]1CC(c2ccsc2)Oc2ccc(Cl)cc21.
What is the InChIKey of (4S)-6-chloro-2-thiophen-3-yl-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is SMSNGLDJPHCWEJ-AMGKYWFPSA-N. The full InChI is InChI=1S/C13H11ClO2S/c14-9-1-2-12-10(5-9)11(15)6-13(16-12)8-3-4-17-7-8/h1-5,7,11,13,15H,6H2/t11-,13?/m0/s1.
What are the key properties of (4S)-6-chloro-2-thiophen-3-yl-3,4-dihydro-2H-chromen-4-ol?
(4S)-6-chloro-2-thiophen-3-yl-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 266.75 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-chloro-2-thiophen-3-yl-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104949002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).