7-methoxy-3-methylsulfanyl-3,8a-dihydro-2H-chromene

C11H14O2S — CID 123304898

IUPAC7-methoxy-3-methylsulfanyl-3,8a-dihydro-2H-chromene
SMILESCOC1=CC2OCC(SC)C=C2C=C1
InChIInChI=1S/C11H14O2S/c1-12-9-4-3-8-5-10(14-2)7-13-11(8)6-9/h3-6,10-11H,7H2,1-2H3
InChIKeyGQLCVJLCCUWDAD-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.14
Rot. Bonds2

About 7-methoxy-3-methylsulfanyl-3,8a-dihydro-2H-chromene

7-methoxy-3-methylsulfanyl-3,8a-dihydro-2H-chromene (PubChem CID 123304898) has the molecular formula C11H14O2S and a molecular weight of 210.30 g/mol. Its IUPAC name is 7-methoxy-3-methylsulfanyl-3,8a-dihydro-2H-chromene.

Molecular Properties

Compound Name7-methoxy-3-methylsulfanyl-3,8a-dihydro-2H-chromene
PubChem CID123304898
Molecular FormulaC11H14O2S
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Name7-methoxy-3-methylsulfanyl-3,8a-dihydro-2H-chromene
SMILESCOC1=CC2OCC(SC)C=C2C=C1
InChIInChI=1S/C11H14O2S/c1-12-9-4-3-8-5-10(14-2)7-13-11(8)6-9/h3-6,10-11H,7H2,1-2H3
InChIKeyGQLCVJLCCUWDAD-UHFFFAOYSA-N
XLogP2.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-methylsulfanyl-3,8a-dihydro-2H-chromene?
The IUPAC name of 7-methoxy-3-methylsulfanyl-3,8a-dihydro-2H-chromene (CID 123304898) is 7-methoxy-3-methylsulfanyl-3,8a-dihydro-2H-chromene.
What is the SMILES notation for 7-methoxy-3-methylsulfanyl-3,8a-dihydro-2H-chromene?
The canonical SMILES for 7-methoxy-3-methylsulfanyl-3,8a-dihydro-2H-chromene is COC1=CC2OCC(SC)C=C2C=C1.
What is the InChIKey of 7-methoxy-3-methylsulfanyl-3,8a-dihydro-2H-chromene?
The InChIKey is GQLCVJLCCUWDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2S/c1-12-9-4-3-8-5-10(14-2)7-13-11(8)6-9/h3-6,10-11H,7H2,1-2H3.
What are the key properties of 7-methoxy-3-methylsulfanyl-3,8a-dihydro-2H-chromene?
7-methoxy-3-methylsulfanyl-3,8a-dihydro-2H-chromene has a molecular weight of 210.30 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-methylsulfanyl-3,8a-dihydro-2H-chromene is sourced from PubChem (CID 123304898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).