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

C17H10O2S — CID 42632131

IUPAC3-phenyl-[1]benzothiolo[2,3-c]pyran-1-one
SMILESO=c1oc(-c2ccccc2)cc2c1sc1ccccc12
InChIInChI=1S/C17H10O2S/c18-17-16-13(12-8-4-5-9-15(12)20-16)10-14(19-17)11-6-2-1-3-7-11/h1-10H
InChIKeyLUXKMRSSSFAGEK-UHFFFAOYSA-N
MW278.33 g/mol
LogP4.67
Rot. Bonds1

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

3-phenyl-[1]benzothiolo[2,3-c]pyran-1-one (PubChem CID 42632131) has the molecular formula C17H10O2S and a molecular weight of 278.33 g/mol. Its IUPAC name is 3-phenyl-[1]benzothiolo[2,3-c]pyran-1-one.

Molecular Properties

Compound Name3-phenyl-[1]benzothiolo[2,3-c]pyran-1-one
PubChem CID42632131
Molecular FormulaC17H10O2S
Molecular Weight278.33 g/mol
Exact Mass278.04
IUPAC Name3-phenyl-[1]benzothiolo[2,3-c]pyran-1-one
SMILESO=c1oc(-c2ccccc2)cc2c1sc1ccccc12
InChIInChI=1S/C17H10O2S/c18-17-16-13(12-8-4-5-9-15(12)20-16)10-14(19-17)11-6-2-1-3-7-11/h1-10H
InChIKeyLUXKMRSSSFAGEK-UHFFFAOYSA-N
XLogP4.67
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Dibenzothiophene-4-carboxylic acid
CID 29886
Methyl benzo(b)thiophene-2-carboxylate
CID 2800344
Dimethyl 1-benzothiophene-2,3-dicarboxylate
CID 3245763
3-Methyl-1-benzothiophene-2-carboxylic acid
CID 821868
Ethyl 3-methyl-6-phenoxy-1-benzothiophene-2-carboxylate
CID 132022548
4,4-Diphenylthieno(2,3-c)furan-6(4H)-one
CID 315611
methyl 4-[(E)-2-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]ethenyl]benzoate
CID 25058307
Methyl 2-(4-methylsulfanylphenyl)-1-benzothiophene-3-carboxylate
CID 44142466
5-(3-ethylbenzothiophen-2-yl)sulfanyl-4-hydroxy-2-phenethyl-2-phenyl-3H-pyran-6-one
CID 54688108
4-hydroxy-5-(3-methylbenzothiophen-2-yl)sulfanyl-2-phenethyl-2-phenyl-3H-pyran-6-one
CID 54688109
5-(benzothiophen-2-ylsulfanyl)-4-hydroxy-2-phenethyl-2-phenyl-3H-pyran-6-one
CID 54688110
Phenyl 2-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 137660851

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-[1]benzothiolo[2,3-c]pyran-1-one?
The IUPAC name of 3-phenyl-[1]benzothiolo[2,3-c]pyran-1-one (CID 42632131) is 3-phenyl-[1]benzothiolo[2,3-c]pyran-1-one.
What is the SMILES notation for 3-phenyl-[1]benzothiolo[2,3-c]pyran-1-one?
The canonical SMILES for 3-phenyl-[1]benzothiolo[2,3-c]pyran-1-one is O=c1oc(-c2ccccc2)cc2c1sc1ccccc12.
What is the InChIKey of 3-phenyl-[1]benzothiolo[2,3-c]pyran-1-one?
The InChIKey is LUXKMRSSSFAGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10O2S/c18-17-16-13(12-8-4-5-9-15(12)20-16)10-14(19-17)11-6-2-1-3-7-11/h1-10H.
What are the key properties of 3-phenyl-[1]benzothiolo[2,3-c]pyran-1-one?
3-phenyl-[1]benzothiolo[2,3-c]pyran-1-one has a molecular weight of 278.33 g/mol, XLogP of 4.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-[1]benzothiolo[2,3-c]pyran-1-one is sourced from PubChem (CID 42632131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).