3-fluoro-11-methyl-6H-thiochromeno[4,3-b]indol-8-ol

C16H12FNOS — CID 15604541

IUPAC3-fluoro-11-methyl-6H-thiochromeno[4,3-b]indol-8-ol
SMILESCn1c2c(c3cc(O)ccc31)CSc1cc(F)ccc1-2
InChIInChI=1S/C16H12FNOS/c1-18-14-5-3-10(19)7-12(14)13-8-20-15-6-9(17)2-4-11(15)16(13)18/h2-7,19H,8H2,1H3
InChIKeyGWKFWTFASFZEED-UHFFFAOYSA-N
MW285.34 g/mol
LogP4.30
Rot. Bonds

About 3-fluoro-11-methyl-6H-thiochromeno[4,3-b]indol-8-ol

3-fluoro-11-methyl-6H-thiochromeno[4,3-b]indol-8-ol (PubChem CID 15604541) has the molecular formula C16H12FNOS and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-fluoro-11-methyl-6H-thiochromeno[4,3-b]indol-8-ol.

Molecular Properties

Compound Name3-fluoro-11-methyl-6H-thiochromeno[4,3-b]indol-8-ol
PubChem CID15604541
Molecular FormulaC16H12FNOS
Molecular Weight285.34 g/mol
Exact Mass285.06
IUPAC Name3-fluoro-11-methyl-6H-thiochromeno[4,3-b]indol-8-ol
SMILESCn1c2c(c3cc(O)ccc31)CSc1cc(F)ccc1-2
InChIInChI=1S/C16H12FNOS/c1-18-14-5-3-10(19)7-12(14)13-8-20-15-6-9(17)2-4-11(15)16(13)18/h2-7,19H,8H2,1H3
InChIKeyGWKFWTFASFZEED-UHFFFAOYSA-N
XLogP4.30
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-11-methyl-6H-thiochromeno[4,3-b]indol-8-ol?
The IUPAC name of 3-fluoro-11-methyl-6H-thiochromeno[4,3-b]indol-8-ol (CID 15604541) is 3-fluoro-11-methyl-6H-thiochromeno[4,3-b]indol-8-ol.
What is the SMILES notation for 3-fluoro-11-methyl-6H-thiochromeno[4,3-b]indol-8-ol?
The canonical SMILES for 3-fluoro-11-methyl-6H-thiochromeno[4,3-b]indol-8-ol is Cn1c2c(c3cc(O)ccc31)CSc1cc(F)ccc1-2.
What is the InChIKey of 3-fluoro-11-methyl-6H-thiochromeno[4,3-b]indol-8-ol?
The InChIKey is GWKFWTFASFZEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNOS/c1-18-14-5-3-10(19)7-12(14)13-8-20-15-6-9(17)2-4-11(15)16(13)18/h2-7,19H,8H2,1H3.
What are the key properties of 3-fluoro-11-methyl-6H-thiochromeno[4,3-b]indol-8-ol?
3-fluoro-11-methyl-6H-thiochromeno[4,3-b]indol-8-ol has a molecular weight of 285.34 g/mol, XLogP of 4.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-11-methyl-6H-thiochromeno[4,3-b]indol-8-ol is sourced from PubChem (CID 15604541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).