5-fluoro-3-hydroxy-3-phenacyl-1H-indol-2-one

C16H12FNO3 — CID 2944765

IUPAC5-fluoro-3-hydroxy-3-phenacyl-1H-indol-2-one
SMILESO=C(CC1(O)C(=O)Nc2ccc(F)cc21)c1ccccc1
InChIInChI=1S/C16H12FNO3/c17-11-6-7-13-12(8-11)16(21,15(20)18-13)9-14(19)10-4-2-1-3-5-10/h1-8,21H,9H2,(H,18,20)
InChIKeyMNLRPOMQQCMQBE-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.24
Rot. Bonds3

About 5-fluoro-3-hydroxy-3-phenacyl-1H-indol-2-one

5-fluoro-3-hydroxy-3-phenacyl-1H-indol-2-one (PubChem CID 2944765) has the molecular formula C16H12FNO3 and a molecular weight of 285.27 g/mol. Its IUPAC name is 5-fluoro-3-hydroxy-3-phenacyl-1H-indol-2-one.

Molecular Properties

Compound Name5-fluoro-3-hydroxy-3-phenacyl-1H-indol-2-one
PubChem CID2944765
Molecular FormulaC16H12FNO3
Molecular Weight285.27 g/mol
Exact Mass285.08
IUPAC Name5-fluoro-3-hydroxy-3-phenacyl-1H-indol-2-one
SMILESO=C(CC1(O)C(=O)Nc2ccc(F)cc21)c1ccccc1
InChIInChI=1S/C16H12FNO3/c17-11-6-7-13-12(8-11)16(21,15(20)18-13)9-14(19)10-4-2-1-3-5-10/h1-8,21H,9H2,(H,18,20)
InChIKeyMNLRPOMQQCMQBE-UHFFFAOYSA-N
XLogP2.24
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-hydroxy-3-phenacyl-1H-indol-2-one?
The IUPAC name of 5-fluoro-3-hydroxy-3-phenacyl-1H-indol-2-one (CID 2944765) is 5-fluoro-3-hydroxy-3-phenacyl-1H-indol-2-one.
What is the SMILES notation for 5-fluoro-3-hydroxy-3-phenacyl-1H-indol-2-one?
The canonical SMILES for 5-fluoro-3-hydroxy-3-phenacyl-1H-indol-2-one is O=C(CC1(O)C(=O)Nc2ccc(F)cc21)c1ccccc1.
What is the InChIKey of 5-fluoro-3-hydroxy-3-phenacyl-1H-indol-2-one?
The InChIKey is MNLRPOMQQCMQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO3/c17-11-6-7-13-12(8-11)16(21,15(20)18-13)9-14(19)10-4-2-1-3-5-10/h1-8,21H,9H2,(H,18,20).
What are the key properties of 5-fluoro-3-hydroxy-3-phenacyl-1H-indol-2-one?
5-fluoro-3-hydroxy-3-phenacyl-1H-indol-2-one has a molecular weight of 285.27 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-hydroxy-3-phenacyl-1H-indol-2-one is sourced from PubChem (CID 2944765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).