7-methoxy-2-methyl-2,3-dihydrothiochromen-4-one

C11H12O2S — CID 3423606

IUPAC7-methoxy-2-methyl-2,3-dihydrothiochromen-4-one
SMILESCOc1ccc2c(c1)SC(C)CC2=O
InChIInChI=1S/C11H12O2S/c1-7-5-10(12)9-4-3-8(13-2)6-11(9)14-7/h3-4,6-7H,5H2,1-2H3
InChIKeyRXQSTOOILJTLMH-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.76
Rot. Bonds1

About 7-methoxy-2-methyl-2,3-dihydrothiochromen-4-one

7-methoxy-2-methyl-2,3-dihydrothiochromen-4-one (PubChem CID 3423606) has the molecular formula C11H12O2S and a molecular weight of 208.28 g/mol. Its IUPAC name is 7-methoxy-2-methyl-2,3-dihydrothiochromen-4-one.

Molecular Properties

Compound Name7-methoxy-2-methyl-2,3-dihydrothiochromen-4-one
PubChem CID3423606
Molecular FormulaC11H12O2S
Molecular Weight208.28 g/mol
Exact Mass208.06
IUPAC Name7-methoxy-2-methyl-2,3-dihydrothiochromen-4-one
SMILESCOc1ccc2c(c1)SC(C)CC2=O
InChIInChI=1S/C11H12O2S/c1-7-5-10(12)9-4-3-8(13-2)6-11(9)14-7/h3-4,6-7H,5H2,1-2H3
InChIKeyRXQSTOOILJTLMH-UHFFFAOYSA-N
XLogP2.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-2,3-dihydrothiochromen-4-one?
The IUPAC name of 7-methoxy-2-methyl-2,3-dihydrothiochromen-4-one (CID 3423606) is 7-methoxy-2-methyl-2,3-dihydrothiochromen-4-one.
What is the SMILES notation for 7-methoxy-2-methyl-2,3-dihydrothiochromen-4-one?
The canonical SMILES for 7-methoxy-2-methyl-2,3-dihydrothiochromen-4-one is COc1ccc2c(c1)SC(C)CC2=O.
What is the InChIKey of 7-methoxy-2-methyl-2,3-dihydrothiochromen-4-one?
The InChIKey is RXQSTOOILJTLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2S/c1-7-5-10(12)9-4-3-8(13-2)6-11(9)14-7/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 7-methoxy-2-methyl-2,3-dihydrothiochromen-4-one?
7-methoxy-2-methyl-2,3-dihydrothiochromen-4-one has a molecular weight of 208.28 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-2,3-dihydrothiochromen-4-one is sourced from PubChem (CID 3423606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).