2-methyl-1,2-dihydrothieno[2,3-c]chromen-4-one

C12H10O2S — CID 15921865

IUPAC2-methyl-1,2-dihydrothieno[2,3-c]chromen-4-one
SMILESCC1Cc2c(c(=O)oc3ccccc23)S1
InChIInChI=1S/C12H10O2S/c1-7-6-9-8-4-2-3-5-10(8)14-12(13)11(9)15-7/h2-5,7H,6H2,1H3
InChIKeyWCDQRNSJROCROK-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.83
Rot. Bonds

About 2-methyl-1,2-dihydrothieno[2,3-c]chromen-4-one

2-methyl-1,2-dihydrothieno[2,3-c]chromen-4-one (PubChem CID 15921865) has the molecular formula C12H10O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is 2-methyl-1,2-dihydrothieno[2,3-c]chromen-4-one.

Molecular Properties

Compound Name2-methyl-1,2-dihydrothieno[2,3-c]chromen-4-one
PubChem CID15921865
Molecular FormulaC12H10O2S
Molecular Weight218.28 g/mol
Exact Mass218.04
IUPAC Name2-methyl-1,2-dihydrothieno[2,3-c]chromen-4-one
SMILESCC1Cc2c(c(=O)oc3ccccc23)S1
InChIInChI=1S/C12H10O2S/c1-7-6-9-8-4-2-3-5-10(8)14-12(13)11(9)15-7/h2-5,7H,6H2,1H3
InChIKeyWCDQRNSJROCROK-UHFFFAOYSA-N
XLogP2.83
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-phenyl-1,2-dihydrothieno[2,3-c]chromen-4-one
CID 1235172
2,3-dihydro-1H-thiopyrano[2,3-c]chromen-5-one
CID 15921866
2-methoxy-2,3-dihydrofuro[3,2-c]chromen-4-one
CID 141108522
1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one
CID 13136922
1-methyl-1,2,3,4-tetrahydrochromeno[3,4-b]pyridin-5-one
CID 12051006
8,17-dioxaheptacyclo[22.6.6.02,7.010,15.018,23.025,30.031,36]hexatriaconta-1(31),2,4,6,10,12,14,18,20,22,24(36),25,27,29,32,34-hexadecaene-9,16-dione
CID 59760668
4-hydroxy-3-methylchromen-2-one
CID 54687016
3,4-diethylchromen-2-one
CID 11680028
4-cyclohexyl-3-methylchromen-2-one
CID 11195874
3-benzoyl-4-hydroxychromen-2-one
CID 135407308
4-(dimethylamino)-3-methylchromen-2-one
CID 87273287
12-methyl-1,2,3,4-tetrahydronaphtho[1,2-c]chromen-5-one
CID 16754820

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,2-dihydrothieno[2,3-c]chromen-4-one?
The IUPAC name of 2-methyl-1,2-dihydrothieno[2,3-c]chromen-4-one (CID 15921865) is 2-methyl-1,2-dihydrothieno[2,3-c]chromen-4-one.
What is the SMILES notation for 2-methyl-1,2-dihydrothieno[2,3-c]chromen-4-one?
The canonical SMILES for 2-methyl-1,2-dihydrothieno[2,3-c]chromen-4-one is CC1Cc2c(c(=O)oc3ccccc23)S1.
What is the InChIKey of 2-methyl-1,2-dihydrothieno[2,3-c]chromen-4-one?
The InChIKey is WCDQRNSJROCROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2S/c1-7-6-9-8-4-2-3-5-10(8)14-12(13)11(9)15-7/h2-5,7H,6H2,1H3.
What are the key properties of 2-methyl-1,2-dihydrothieno[2,3-c]chromen-4-one?
2-methyl-1,2-dihydrothieno[2,3-c]chromen-4-one has a molecular weight of 218.28 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,2-dihydrothieno[2,3-c]chromen-4-one is sourced from PubChem (CID 15921865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).