methyl 8-methyl-2-oxothieno[2,3-h]chromene-3-carboxylate

C14H10O4S — CID 12641050

IUPACmethyl 8-methyl-2-oxothieno[2,3-h]chromene-3-carboxylate
SMILESCOC(=O)c1cc2ccc3sc(C)cc3c2oc1=O
InChIInChI=1S/C14H10O4S/c1-7-5-9-11(19-7)4-3-8-6-10(13(15)17-2)14(16)18-12(8)9/h3-6H,1-2H3
InChIKeyUMBGEUPAGAMGLV-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.10
Rot. Bonds1

About methyl 8-methyl-2-oxothieno[2,3-h]chromene-3-carboxylate

methyl 8-methyl-2-oxothieno[2,3-h]chromene-3-carboxylate (PubChem CID 12641050) has the molecular formula C14H10O4S and a molecular weight of 274.30 g/mol. Its IUPAC name is methyl 8-methyl-2-oxothieno[2,3-h]chromene-3-carboxylate.

Molecular Properties

Compound Namemethyl 8-methyl-2-oxothieno[2,3-h]chromene-3-carboxylate
PubChem CID12641050
Molecular FormulaC14H10O4S
Molecular Weight274.30 g/mol
Exact Mass274.03
IUPAC Namemethyl 8-methyl-2-oxothieno[2,3-h]chromene-3-carboxylate
SMILESCOC(=O)c1cc2ccc3sc(C)cc3c2oc1=O
InChIInChI=1S/C14H10O4S/c1-7-5-9-11(19-7)4-3-8-6-10(13(15)17-2)14(16)18-12(8)9/h3-6H,1-2H3
InChIKeyUMBGEUPAGAMGLV-UHFFFAOYSA-N
XLogP3.10
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 8-hydroxy-2-oxochromene-3-carboxylate
CID 121222040
methyl 7-methyl-2-oxochromene-3-carboxylate
CID 142114128
methyl 6,8-dichloro-2-oxochromene-3-carboxylate
CID 75527754
methyl 8-methoxy-6-nitro-2-oxochromene-3-carboxylate
CID 166609293
methyl 2-bromo-5-oxothieno[3,2-b]pyran-6-carboxylate
CID 139550435
ethane;methyl 2,5-dimethylthiophene-3-carboxylate
CID 143851717
ethyl 8-ethoxy-2-oxochromene-3-carboxylate
CID 4084032
methyl 2-oxo-7-pyrrolidin-1-ylchromene-3-carboxylate
CID 139267053
ethyl 8-bromo-2-oxochromene-3-carboxylate
CID 118281896
diethyl 8,9-dimethyl-2-oxopyrano[2,3-e]isoindole-3,7-dicarboxylate
CID 44582525
methyl 5-iodo-2-oxo-6-phenylpyran-3-carboxylate
CID 154717333
methyl 5-fluoro-2-oxochromene-3-carboxylate
CID 166609254

Frequently Asked Questions

What is the IUPAC name of methyl 8-methyl-2-oxothieno[2,3-h]chromene-3-carboxylate?
The IUPAC name of methyl 8-methyl-2-oxothieno[2,3-h]chromene-3-carboxylate (CID 12641050) is methyl 8-methyl-2-oxothieno[2,3-h]chromene-3-carboxylate.
What is the SMILES notation for methyl 8-methyl-2-oxothieno[2,3-h]chromene-3-carboxylate?
The canonical SMILES for methyl 8-methyl-2-oxothieno[2,3-h]chromene-3-carboxylate is COC(=O)c1cc2ccc3sc(C)cc3c2oc1=O.
What is the InChIKey of methyl 8-methyl-2-oxothieno[2,3-h]chromene-3-carboxylate?
The InChIKey is UMBGEUPAGAMGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O4S/c1-7-5-9-11(19-7)4-3-8-6-10(13(15)17-2)14(16)18-12(8)9/h3-6H,1-2H3.
What are the key properties of methyl 8-methyl-2-oxothieno[2,3-h]chromene-3-carboxylate?
methyl 8-methyl-2-oxothieno[2,3-h]chromene-3-carboxylate has a molecular weight of 274.30 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-methyl-2-oxothieno[2,3-h]chromene-3-carboxylate is sourced from PubChem (CID 12641050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).