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

C13H15ClO2S — CID 107133958

IUPAC(4R)-6-chloro-2-(thiolan-3-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@@H]1CC(C2CCSC2)Oc2ccc(Cl)cc21
InChIInChI=1S/C13H15ClO2S/c14-9-1-2-12-10(5-9)11(15)6-13(16-12)8-3-4-17-7-8/h1-2,5,8,11,13,15H,3-4,6-7H2/t8?,11-,13?/m1/s1
InChIKeyCKBXKMMSLQESSC-UHLWVNKISA-N
MW270.78 g/mol
LogP3.28
Rot. Bonds1

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

(4R)-6-chloro-2-(thiolan-3-yl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 107133958) has the molecular formula C13H15ClO2S and a molecular weight of 270.78 g/mol. Its IUPAC name is (4R)-6-chloro-2-(thiolan-3-yl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4R)-6-chloro-2-(thiolan-3-yl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID107133958
Molecular FormulaC13H15ClO2S
Molecular Weight270.78 g/mol
Exact Mass270.05
IUPAC Name(4R)-6-chloro-2-(thiolan-3-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@@H]1CC(C2CCSC2)Oc2ccc(Cl)cc21
InChIInChI=1S/C13H15ClO2S/c14-9-1-2-12-10(5-9)11(15)6-13(16-12)8-3-4-17-7-8/h1-2,5,8,11,13,15H,3-4,6-7H2/t8?,11-,13?/m1/s1
InChIKeyCKBXKMMSLQESSC-UHLWVNKISA-N
XLogP3.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-6-chloro-2-(thiolan-3-yl)-3,4-dihydro-2H-chromen-4-amine
CID 107133991
6-chloro-2-cyclobutyl-3,4-dihydro-2H-chromen-4-ol
CID 114714497
6-chloro-2-cyclopentyl-3,4-dihydro-2H-chromen-4-ol
CID 114714546
(4R)-6-chloro-2-cycloheptyl-3,4-dihydro-2H-chromen-4-ol
CID 104949265
(4R)-6-chloro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104949234
6-chloro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol
CID 114714609
6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714604
(4R)-6-methyl-2-(thiolan-3-yl)-3,4-dihydro-2H-chromen-4-amine
CID 107134004
(4R)-6-bromo-2-cyclopropyl-3,4-dihydro-2H-chromen-4-ol
CID 104951380
6-chloro-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine
CID 114709076
(2R,4S)-6-chloro-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-ol
CID 42558642
6-chloro-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 114714596

Frequently Asked Questions

What is the IUPAC name of (4R)-6-chloro-2-(thiolan-3-yl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4R)-6-chloro-2-(thiolan-3-yl)-3,4-dihydro-2H-chromen-4-ol (CID 107133958) is (4R)-6-chloro-2-(thiolan-3-yl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4R)-6-chloro-2-(thiolan-3-yl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4R)-6-chloro-2-(thiolan-3-yl)-3,4-dihydro-2H-chromen-4-ol is O[C@@H]1CC(C2CCSC2)Oc2ccc(Cl)cc21.
What is the InChIKey of (4R)-6-chloro-2-(thiolan-3-yl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is CKBXKMMSLQESSC-UHLWVNKISA-N. The full InChI is InChI=1S/C13H15ClO2S/c14-9-1-2-12-10(5-9)11(15)6-13(16-12)8-3-4-17-7-8/h1-2,5,8,11,13,15H,3-4,6-7H2/t8?,11-,13?/m1/s1.
What are the key properties of (4R)-6-chloro-2-(thiolan-3-yl)-3,4-dihydro-2H-chromen-4-ol?
(4R)-6-chloro-2-(thiolan-3-yl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 270.78 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-chloro-2-(thiolan-3-yl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 107133958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).