6-methoxythieno[2,3-h]chromen-2-one

C12H8O3S — CID 14235198

IUPAC6-methoxythieno[2,3-h]chromen-2-one
SMILESCOc1cc2ccc(=O)oc2c2ccsc12
InChIInChI=1S/C12H8O3S/c1-14-9-6-7-2-3-10(13)15-11(7)8-4-5-16-12(8)9/h2-6H,1H3
InChIKeyBYULGPLPSNZQIT-UHFFFAOYSA-N
MW232.26 g/mol
LogP3.02
Rot. Bonds1

About 6-methoxythieno[2,3-h]chromen-2-one

6-methoxythieno[2,3-h]chromen-2-one (PubChem CID 14235198) has the molecular formula C12H8O3S and a molecular weight of 232.26 g/mol. Its IUPAC name is 6-methoxythieno[2,3-h]chromen-2-one.

Molecular Properties

Compound Name6-methoxythieno[2,3-h]chromen-2-one
PubChem CID14235198
Molecular FormulaC12H8O3S
Molecular Weight232.26 g/mol
Exact Mass232.02
IUPAC Name6-methoxythieno[2,3-h]chromen-2-one
SMILESCOc1cc2ccc(=O)oc2c2ccsc12
InChIInChI=1S/C12H8O3S/c1-14-9-6-7-2-3-10(13)15-11(7)8-4-5-16-12(8)9/h2-6H,1H3
InChIKeyBYULGPLPSNZQIT-UHFFFAOYSA-N
XLogP3.02
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-[[(2R)-3,3-dimethyloxiran-2-yl]methoxy]-6,8-dimethoxychromen-2-one
CID 163041261
7-[[(2S)-3,3-dimethyloxiran-2-yl]methoxy]-6,8-dimethoxychromen-2-one
CID 163041260
4,7-dimethoxy-1-benzothiophene
CID 11095506
6,7-dimethoxychromen-2-one
CID 159563577
6,8-dimethoxy-7-nitrochromen-2-one
CID 134989897
sodium;6,7-dimethoxychromen-2-one;chloride
CID 174522152
9-methoxyfuro[3,2-g]chromene-3,7-dione
CID 141257302
5-iodo-7-methoxy-1-benzothiophene-4-carbaldehyde
CID 130821345
4,5-dibromo-7-methoxy-1-benzothiophene
CID 130926286
8-acetyl-6-hydroxy-7-methoxychromen-2-one
CID 161217673
4-iodo-7-methoxy-1-benzothiophen-5-amine
CID 130788772
4-chloro-7-methoxy-1-benzothiophen-5-amine
CID 131060040

Frequently Asked Questions

What is the IUPAC name of 6-methoxythieno[2,3-h]chromen-2-one?
The IUPAC name of 6-methoxythieno[2,3-h]chromen-2-one (CID 14235198) is 6-methoxythieno[2,3-h]chromen-2-one.
What is the SMILES notation for 6-methoxythieno[2,3-h]chromen-2-one?
The canonical SMILES for 6-methoxythieno[2,3-h]chromen-2-one is COc1cc2ccc(=O)oc2c2ccsc12.
What is the InChIKey of 6-methoxythieno[2,3-h]chromen-2-one?
The InChIKey is BYULGPLPSNZQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O3S/c1-14-9-6-7-2-3-10(13)15-11(7)8-4-5-16-12(8)9/h2-6H,1H3.
What are the key properties of 6-methoxythieno[2,3-h]chromen-2-one?
6-methoxythieno[2,3-h]chromen-2-one has a molecular weight of 232.26 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxythieno[2,3-h]chromen-2-one is sourced from PubChem (CID 14235198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).