9H-fluoren-4-yl-(3-hydroxy-1-benzothiophen-2-yl)methanone

C22H14O2S — CID 70536557

IUPAC9H-fluoren-4-yl-(3-hydroxy-1-benzothiophen-2-yl)methanone
SMILESO=C(c1cccc2c1-c1ccccc1C2)c1sc2ccccc2c1O
InChIInChI=1S/C22H14O2S/c23-20-16-9-3-4-11-18(16)25-22(20)21(24)17-10-5-7-14-12-13-6-1-2-8-15(13)19(14)17/h1-11,23H,12H2
InChIKeyAKZFIHRUFGTFOA-UHFFFAOYSA-N
MW342.42 g/mol
LogP5.41
Rot. Bonds2

About 9H-fluoren-4-yl-(3-hydroxy-1-benzothiophen-2-yl)methanone

9H-fluoren-4-yl-(3-hydroxy-1-benzothiophen-2-yl)methanone (PubChem CID 70536557) has the molecular formula C22H14O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 9H-fluoren-4-yl-(3-hydroxy-1-benzothiophen-2-yl)methanone.

Molecular Properties

Compound Name9H-fluoren-4-yl-(3-hydroxy-1-benzothiophen-2-yl)methanone
PubChem CID70536557
Molecular FormulaC22H14O2S
Molecular Weight342.42 g/mol
Exact Mass342.07
IUPAC Name9H-fluoren-4-yl-(3-hydroxy-1-benzothiophen-2-yl)methanone
SMILESO=C(c1cccc2c1-c1ccccc1C2)c1sc2ccccc2c1O
InChIInChI=1S/C22H14O2S/c23-20-16-9-3-4-11-18(16)25-22(20)21(24)17-10-5-7-14-12-13-6-1-2-8-15(13)19(14)17/h1-11,23H,12H2
InChIKeyAKZFIHRUFGTFOA-UHFFFAOYSA-N
XLogP5.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.42
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-4-yl-(3-hydroxy-1-benzothiophen-2-yl)methanone?
The IUPAC name of 9H-fluoren-4-yl-(3-hydroxy-1-benzothiophen-2-yl)methanone (CID 70536557) is 9H-fluoren-4-yl-(3-hydroxy-1-benzothiophen-2-yl)methanone.
What is the SMILES notation for 9H-fluoren-4-yl-(3-hydroxy-1-benzothiophen-2-yl)methanone?
The canonical SMILES for 9H-fluoren-4-yl-(3-hydroxy-1-benzothiophen-2-yl)methanone is O=C(c1cccc2c1-c1ccccc1C2)c1sc2ccccc2c1O.
What is the InChIKey of 9H-fluoren-4-yl-(3-hydroxy-1-benzothiophen-2-yl)methanone?
The InChIKey is AKZFIHRUFGTFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14O2S/c23-20-16-9-3-4-11-18(16)25-22(20)21(24)17-10-5-7-14-12-13-6-1-2-8-15(13)19(14)17/h1-11,23H,12H2.
What are the key properties of 9H-fluoren-4-yl-(3-hydroxy-1-benzothiophen-2-yl)methanone?
9H-fluoren-4-yl-(3-hydroxy-1-benzothiophen-2-yl)methanone has a molecular weight of 342.42 g/mol, XLogP of 5.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-4-yl-(3-hydroxy-1-benzothiophen-2-yl)methanone is sourced from PubChem (CID 70536557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).