(4S)-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol

C14H14O2S — CID 104949769

IUPAC(4S)-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESCc1ccsc1C1C[C@H](O)c2ccccc2O1
InChIInChI=1S/C14H14O2S/c1-9-6-7-17-14(9)13-8-11(15)10-4-2-3-5-12(10)16-13/h2-7,11,13,15H,8H2,1H3/t11-,13?/m0/s1
InChIKeyZKLHJUVZOTUJEN-AMGKYWFPSA-N
MW246.33 g/mol
LogP3.61
Rot. Bonds1

About (4S)-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol

(4S)-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104949769) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is (4S)-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4S)-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID104949769
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name(4S)-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESCc1ccsc1C1C[C@H](O)c2ccccc2O1
InChIInChI=1S/C14H14O2S/c1-9-6-7-17-14(9)13-8-11(15)10-4-2-3-5-12(10)16-13/h2-7,11,13,15H,8H2,1H3/t11-,13?/m0/s1
InChIKeyZKLHJUVZOTUJEN-AMGKYWFPSA-N
XLogP3.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-6-fluoro-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104948253
(4R)-2-(2,3-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950152
(2S,4S)-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 92935771
(4R)-2-(2,4-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950234
(2S,4R)-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 6923720
2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714953
(4S)-2-(3-bromo-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 105404380
2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715039
(4S)-2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949776
(4S)-2-(5-chloro-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-ol
CID 107126193
(2S,4S)-2-naphthalen-1-yl-3,4-dihydro-2H-chromen-4-ol
CID 134948340
(2R,4R)-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 92935775

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4S)-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol (CID 104949769) is (4S)-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4S)-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4S)-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol is Cc1ccsc1C1C[C@H](O)c2ccccc2O1.
What is the InChIKey of (4S)-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is ZKLHJUVZOTUJEN-AMGKYWFPSA-N. The full InChI is InChI=1S/C14H14O2S/c1-9-6-7-17-14(9)13-8-11(15)10-4-2-3-5-12(10)16-13/h2-7,11,13,15H,8H2,1H3/t11-,13?/m0/s1.
What are the key properties of (4S)-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol?
(4S)-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 246.33 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104949769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).