9-methoxy-[1]benzothiolo[3,2-c]chromen-6-one

C16H10O3S — CID 54450197

IUPAC9-methoxy-[1]benzothiolo[3,2-c]chromen-6-one
SMILESCOc1ccc2c(c1)sc1c3ccccc3oc(=O)c21
InChIInChI=1S/C16H10O3S/c1-18-9-6-7-11-13(8-9)20-15-10-4-2-3-5-12(10)19-16(17)14(11)15/h2-8H,1H3
InChIKeyWUKPVIVHAQVQEF-UHFFFAOYSA-N
MW282.32 g/mol
LogP4.17
Rot. Bonds1

About 9-methoxy-[1]benzothiolo[3,2-c]chromen-6-one

9-methoxy-[1]benzothiolo[3,2-c]chromen-6-one (PubChem CID 54450197) has the molecular formula C16H10O3S and a molecular weight of 282.32 g/mol. Its IUPAC name is 9-methoxy-[1]benzothiolo[3,2-c]chromen-6-one.

Molecular Properties

Compound Name9-methoxy-[1]benzothiolo[3,2-c]chromen-6-one
PubChem CID54450197
Molecular FormulaC16H10O3S
Molecular Weight282.32 g/mol
Exact Mass282.04
IUPAC Name9-methoxy-[1]benzothiolo[3,2-c]chromen-6-one
SMILESCOc1ccc2c(c1)sc1c3ccccc3oc(=O)c21
InChIInChI=1S/C16H10O3S/c1-18-9-6-7-11-13(8-9)20-15-10-4-2-3-5-12(10)19-16(17)14(11)15/h2-8H,1H3
InChIKeyWUKPVIVHAQVQEF-UHFFFAOYSA-N
XLogP4.17
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-[1]benzothiolo[3,2-c]chromen-6-one?
The IUPAC name of 9-methoxy-[1]benzothiolo[3,2-c]chromen-6-one (CID 54450197) is 9-methoxy-[1]benzothiolo[3,2-c]chromen-6-one.
What is the SMILES notation for 9-methoxy-[1]benzothiolo[3,2-c]chromen-6-one?
The canonical SMILES for 9-methoxy-[1]benzothiolo[3,2-c]chromen-6-one is COc1ccc2c(c1)sc1c3ccccc3oc(=O)c21.
What is the InChIKey of 9-methoxy-[1]benzothiolo[3,2-c]chromen-6-one?
The InChIKey is WUKPVIVHAQVQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O3S/c1-18-9-6-7-11-13(8-9)20-15-10-4-2-3-5-12(10)19-16(17)14(11)15/h2-8H,1H3.
What are the key properties of 9-methoxy-[1]benzothiolo[3,2-c]chromen-6-one?
9-methoxy-[1]benzothiolo[3,2-c]chromen-6-one has a molecular weight of 282.32 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-[1]benzothiolo[3,2-c]chromen-6-one is sourced from PubChem (CID 54450197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).