7-methoxy-3-phenyl-[1]benzothiolo[2,3-c]pyran-1-one

C18H12O3S — CID 42632135

IUPAC7-methoxy-3-phenyl-[1]benzothiolo[2,3-c]pyran-1-one
SMILESCOc1ccc2c(c1)sc1c(=O)oc(-c3ccccc3)cc12
InChIInChI=1S/C18H12O3S/c1-20-12-7-8-13-14-10-15(11-5-3-2-4-6-11)21-18(19)17(14)22-16(13)9-12/h2-10H,1H3
InChIKeyLIDSOAHJEUKIPU-UHFFFAOYSA-N
MW308.36 g/mol
LogP4.68
Rot. Bonds2

About 7-methoxy-3-phenyl-[1]benzothiolo[2,3-c]pyran-1-one

7-methoxy-3-phenyl-[1]benzothiolo[2,3-c]pyran-1-one (PubChem CID 42632135) has the molecular formula C18H12O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 7-methoxy-3-phenyl-[1]benzothiolo[2,3-c]pyran-1-one.

Molecular Properties

Compound Name7-methoxy-3-phenyl-[1]benzothiolo[2,3-c]pyran-1-one
PubChem CID42632135
Molecular FormulaC18H12O3S
Molecular Weight308.36 g/mol
Exact Mass308.05
IUPAC Name7-methoxy-3-phenyl-[1]benzothiolo[2,3-c]pyran-1-one
SMILESCOc1ccc2c(c1)sc1c(=O)oc(-c3ccccc3)cc12
InChIInChI=1S/C18H12O3S/c1-20-12-7-8-13-14-10-15(11-5-3-2-4-6-11)21-18(19)17(14)22-16(13)9-12/h2-10H,1H3
InChIKeyLIDSOAHJEUKIPU-UHFFFAOYSA-N
XLogP4.68
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-methoxy-3-phenyl-[1]benzothiolo[2,3-c]pyran-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-phenyl-[1]benzothiolo[2,3-c]pyran-1-one?
The IUPAC name of 7-methoxy-3-phenyl-[1]benzothiolo[2,3-c]pyran-1-one (CID 42632135) is 7-methoxy-3-phenyl-[1]benzothiolo[2,3-c]pyran-1-one.
What is the SMILES notation for 7-methoxy-3-phenyl-[1]benzothiolo[2,3-c]pyran-1-one?
The canonical SMILES for 7-methoxy-3-phenyl-[1]benzothiolo[2,3-c]pyran-1-one is COc1ccc2c(c1)sc1c(=O)oc(-c3ccccc3)cc12.
What is the InChIKey of 7-methoxy-3-phenyl-[1]benzothiolo[2,3-c]pyran-1-one?
The InChIKey is LIDSOAHJEUKIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O3S/c1-20-12-7-8-13-14-10-15(11-5-3-2-4-6-11)21-18(19)17(14)22-16(13)9-12/h2-10H,1H3.
What are the key properties of 7-methoxy-3-phenyl-[1]benzothiolo[2,3-c]pyran-1-one?
7-methoxy-3-phenyl-[1]benzothiolo[2,3-c]pyran-1-one has a molecular weight of 308.36 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-phenyl-[1]benzothiolo[2,3-c]pyran-1-one is sourced from PubChem (CID 42632135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).