4-(methoxymethyl)-5,8-dimethyl-3,4-dihydro-2H-thiochromene

C13H18OS — CID 22118423

IUPAC4-(methoxymethyl)-5,8-dimethyl-3,4-dihydro-2H-thiochromene
SMILESCOCC1CCSc2c(C)ccc(C)c21
InChIInChI=1S/C13H18OS/c1-9-4-5-10(2)13-12(9)11(8-14-3)6-7-15-13/h4-5,11H,6-8H2,1-3H3
InChIKeyHGFOAQLIGUMDPS-UHFFFAOYSA-N
MW222.35 g/mol
LogP3.53
Rot. Bonds2

About 4-(methoxymethyl)-5,8-dimethyl-3,4-dihydro-2H-thiochromene

4-(methoxymethyl)-5,8-dimethyl-3,4-dihydro-2H-thiochromene (PubChem CID 22118423) has the molecular formula C13H18OS and a molecular weight of 222.35 g/mol. Its IUPAC name is 4-(methoxymethyl)-5,8-dimethyl-3,4-dihydro-2H-thiochromene.

Molecular Properties

Compound Name4-(methoxymethyl)-5,8-dimethyl-3,4-dihydro-2H-thiochromene
PubChem CID22118423
Molecular FormulaC13H18OS
Molecular Weight222.35 g/mol
Exact Mass222.11
IUPAC Name4-(methoxymethyl)-5,8-dimethyl-3,4-dihydro-2H-thiochromene
SMILESCOCC1CCSc2c(C)ccc(C)c21
InChIInChI=1S/C13H18OS/c1-9-4-5-10(2)13-12(9)11(8-14-3)6-7-15-13/h4-5,11H,6-8H2,1-3H3
InChIKeyHGFOAQLIGUMDPS-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-5,8-dimethyl-3,4-dihydro-2H-thiochromene?
The IUPAC name of 4-(methoxymethyl)-5,8-dimethyl-3,4-dihydro-2H-thiochromene (CID 22118423) is 4-(methoxymethyl)-5,8-dimethyl-3,4-dihydro-2H-thiochromene.
What is the SMILES notation for 4-(methoxymethyl)-5,8-dimethyl-3,4-dihydro-2H-thiochromene?
The canonical SMILES for 4-(methoxymethyl)-5,8-dimethyl-3,4-dihydro-2H-thiochromene is COCC1CCSc2c(C)ccc(C)c21.
What is the InChIKey of 4-(methoxymethyl)-5,8-dimethyl-3,4-dihydro-2H-thiochromene?
The InChIKey is HGFOAQLIGUMDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18OS/c1-9-4-5-10(2)13-12(9)11(8-14-3)6-7-15-13/h4-5,11H,6-8H2,1-3H3.
What are the key properties of 4-(methoxymethyl)-5,8-dimethyl-3,4-dihydro-2H-thiochromene?
4-(methoxymethyl)-5,8-dimethyl-3,4-dihydro-2H-thiochromene has a molecular weight of 222.35 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-5,8-dimethyl-3,4-dihydro-2H-thiochromene is sourced from PubChem (CID 22118423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).