9-(1-benzothiophen-2-yl)fluoren-9-ol

C21H14OS — CID 22117570

IUPAC9-(1-benzothiophen-2-yl)fluoren-9-ol
SMILESOC1(c2cc3ccccc3s2)c2ccccc2-c2ccccc21
InChIInChI=1S/C21H14OS/c22-21(20-13-14-7-1-6-12-19(14)23-20)17-10-4-2-8-15(17)16-9-3-5-11-18(16)21/h1-13,22H
InChIKeyLCZRXETZIXBAOU-UHFFFAOYSA-N
MW314.41 g/mol
LogP5.17
Rot. Bonds1

About 9-(1-benzothiophen-2-yl)fluoren-9-ol

9-(1-benzothiophen-2-yl)fluoren-9-ol (PubChem CID 22117570) has the molecular formula C21H14OS and a molecular weight of 314.41 g/mol. Its IUPAC name is 9-(1-benzothiophen-2-yl)fluoren-9-ol.

Molecular Properties

Compound Name9-(1-benzothiophen-2-yl)fluoren-9-ol
PubChem CID22117570
Molecular FormulaC21H14OS
Molecular Weight314.41 g/mol
Exact Mass314.08
IUPAC Name9-(1-benzothiophen-2-yl)fluoren-9-ol
SMILESOC1(c2cc3ccccc3s2)c2ccccc2-c2ccccc21
InChIInChI=1S/C21H14OS/c22-21(20-13-14-7-1-6-12-19(14)23-20)17-10-4-2-8-15(17)16-9-3-5-11-18(16)21/h1-13,22H
InChIKeyLCZRXETZIXBAOU-UHFFFAOYSA-N
XLogP5.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.41
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(1-benzothiophen-2-yl)fluoren-9-ol?
The IUPAC name of 9-(1-benzothiophen-2-yl)fluoren-9-ol (CID 22117570) is 9-(1-benzothiophen-2-yl)fluoren-9-ol.
What is the SMILES notation for 9-(1-benzothiophen-2-yl)fluoren-9-ol?
The canonical SMILES for 9-(1-benzothiophen-2-yl)fluoren-9-ol is OC1(c2cc3ccccc3s2)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-(1-benzothiophen-2-yl)fluoren-9-ol?
The InChIKey is LCZRXETZIXBAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14OS/c22-21(20-13-14-7-1-6-12-19(14)23-20)17-10-4-2-8-15(17)16-9-3-5-11-18(16)21/h1-13,22H.
What are the key properties of 9-(1-benzothiophen-2-yl)fluoren-9-ol?
9-(1-benzothiophen-2-yl)fluoren-9-ol has a molecular weight of 314.41 g/mol, XLogP of 5.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-benzothiophen-2-yl)fluoren-9-ol is sourced from PubChem (CID 22117570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).