4-methyl-[1]benzothiolo[3,2-h]chromen-2-one

C16H10O2S — CID 118716757

IUPAC4-methyl-[1]benzothiolo[3,2-h]chromen-2-one
SMILESCc1cc(=O)oc2c1ccc1c3ccccc3sc12
InChIInChI=1S/C16H10O2S/c1-9-8-14(17)18-15-10(9)6-7-12-11-4-2-3-5-13(11)19-16(12)15/h2-8H,1H3
InChIKeyGFGBTQOHYWHURY-UHFFFAOYSA-N
MW266.32 g/mol
LogP4.47
Rot. Bonds

About 4-methyl-[1]benzothiolo[3,2-h]chromen-2-one

4-methyl-[1]benzothiolo[3,2-h]chromen-2-one (PubChem CID 118716757) has the molecular formula C16H10O2S and a molecular weight of 266.32 g/mol. Its IUPAC name is 4-methyl-[1]benzothiolo[3,2-h]chromen-2-one.

Molecular Properties

Compound Name4-methyl-[1]benzothiolo[3,2-h]chromen-2-one
PubChem CID118716757
Molecular FormulaC16H10O2S
Molecular Weight266.32 g/mol
Exact Mass266.04
IUPAC Name4-methyl-[1]benzothiolo[3,2-h]chromen-2-one
SMILESCc1cc(=O)oc2c1ccc1c3ccccc3sc12
InChIInChI=1S/C16H10O2S/c1-9-8-14(17)18-15-10(9)6-7-12-11-4-2-3-5-13(11)19-16(12)15/h2-8H,1H3
InChIKeyGFGBTQOHYWHURY-UHFFFAOYSA-N
XLogP4.47
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-[1]benzothiolo[3,2-h]chromen-2-one?
The IUPAC name of 4-methyl-[1]benzothiolo[3,2-h]chromen-2-one (CID 118716757) is 4-methyl-[1]benzothiolo[3,2-h]chromen-2-one.
What is the SMILES notation for 4-methyl-[1]benzothiolo[3,2-h]chromen-2-one?
The canonical SMILES for 4-methyl-[1]benzothiolo[3,2-h]chromen-2-one is Cc1cc(=O)oc2c1ccc1c3ccccc3sc12.
What is the InChIKey of 4-methyl-[1]benzothiolo[3,2-h]chromen-2-one?
The InChIKey is GFGBTQOHYWHURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O2S/c1-9-8-14(17)18-15-10(9)6-7-12-11-4-2-3-5-13(11)19-16(12)15/h2-8H,1H3.
What are the key properties of 4-methyl-[1]benzothiolo[3,2-h]chromen-2-one?
4-methyl-[1]benzothiolo[3,2-h]chromen-2-one has a molecular weight of 266.32 g/mol, XLogP of 4.47, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-[1]benzothiolo[3,2-h]chromen-2-one is sourced from PubChem (CID 118716757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).