8-methoxy-3,4-dihydro-2H-thiochromen-5-ol

C10H12O2S — CID 154301881

IUPAC8-methoxy-3,4-dihydro-2H-thiochromen-5-ol
SMILESCOc1ccc(O)c2c1SCCC2
InChIInChI=1S/C10H12O2S/c1-12-9-5-4-8(11)7-3-2-6-13-10(7)9/h4-5,11H,2-3,6H2,1H3
InChIKeyWSUNFHMKFZQHHI-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.44
Rot. Bonds1

About 8-methoxy-3,4-dihydro-2H-thiochromen-5-ol

8-methoxy-3,4-dihydro-2H-thiochromen-5-ol (PubChem CID 154301881) has the molecular formula C10H12O2S and a molecular weight of 196.27 g/mol. Its IUPAC name is 8-methoxy-3,4-dihydro-2H-thiochromen-5-ol.

Molecular Properties

Compound Name8-methoxy-3,4-dihydro-2H-thiochromen-5-ol
PubChem CID154301881
Molecular FormulaC10H12O2S
Molecular Weight196.27 g/mol
Exact Mass196.06
IUPAC Name8-methoxy-3,4-dihydro-2H-thiochromen-5-ol
SMILESCOc1ccc(O)c2c1SCCC2
InChIInChI=1S/C10H12O2S/c1-12-9-5-4-8(11)7-3-2-6-13-10(7)9/h4-5,11H,2-3,6H2,1H3
InChIKeyWSUNFHMKFZQHHI-UHFFFAOYSA-N
XLogP2.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5,8-dimethoxy-[1,3]dithiolo[4,5-b][1,4]benzodithiine
CID 10672794
9-methoxy-6,7-dimethyl-3,4-dihydro-2H-1-benzothiepin-5-one
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5-methoxy-4,8-dimethyl-2,3-dihydro-1,4-benzothiazine
CID 84621295
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CID 82626775
6-methoxy-1,2,3,4-tetrahydroquinolin-5-ol
CID 84656926
5-methoxy-8-methyl-3,4-dihydro-2H-1,4-benzothiazine
CID 84619364
4,7-dimethoxy-1,2,3-benzotrithiole
CID 14939760
4-fluoro-7-methoxy-2,3-dihydro-1H-indene
CID 23208941
2,3-diamino-4-methoxyphenol
CID 70465216
(4aZ,8aZ,12aZ,16aZ)-1,4,5,8,9,12,13,16-octamethoxytetraphenylene
CID 53328080
2-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propan-2-ol
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CID 96615871

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3,4-dihydro-2H-thiochromen-5-ol?
The IUPAC name of 8-methoxy-3,4-dihydro-2H-thiochromen-5-ol (CID 154301881) is 8-methoxy-3,4-dihydro-2H-thiochromen-5-ol.
What is the SMILES notation for 8-methoxy-3,4-dihydro-2H-thiochromen-5-ol?
The canonical SMILES for 8-methoxy-3,4-dihydro-2H-thiochromen-5-ol is COc1ccc(O)c2c1SCCC2.
What is the InChIKey of 8-methoxy-3,4-dihydro-2H-thiochromen-5-ol?
The InChIKey is WSUNFHMKFZQHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2S/c1-12-9-5-4-8(11)7-3-2-6-13-10(7)9/h4-5,11H,2-3,6H2,1H3.
What are the key properties of 8-methoxy-3,4-dihydro-2H-thiochromen-5-ol?
8-methoxy-3,4-dihydro-2H-thiochromen-5-ol has a molecular weight of 196.27 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3,4-dihydro-2H-thiochromen-5-ol is sourced from PubChem (CID 154301881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).