5-[(4-fluorophenyl)methoxy]-3,3-dimethyl-1H-indol-2-one

C17H16FNO2 — CID 155563049

IUPAC5-[(4-fluorophenyl)methoxy]-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2ccc(OCc3ccc(F)cc3)cc21
InChIInChI=1S/C17H16FNO2/c1-17(2)14-9-13(7-8-15(14)19-16(17)20)21-10-11-3-5-12(18)6-4-11/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyHLJCPGMLMBFDIJ-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.63
Rot. Bonds3

About 5-[(4-fluorophenyl)methoxy]-3,3-dimethyl-1H-indol-2-one

5-[(4-fluorophenyl)methoxy]-3,3-dimethyl-1H-indol-2-one (PubChem CID 155563049) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methoxy]-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methoxy]-3,3-dimethyl-1H-indol-2-one
PubChem CID155563049
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name5-[(4-fluorophenyl)methoxy]-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2ccc(OCc3ccc(F)cc3)cc21
InChIInChI=1S/C17H16FNO2/c1-17(2)14-9-13(7-8-15(14)19-16(17)20)21-10-11-3-5-12(18)6-4-11/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyHLJCPGMLMBFDIJ-UHFFFAOYSA-N
XLogP3.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methoxy]-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 5-[(4-fluorophenyl)methoxy]-3,3-dimethyl-1H-indol-2-one (CID 155563049) is 5-[(4-fluorophenyl)methoxy]-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 5-[(4-fluorophenyl)methoxy]-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 5-[(4-fluorophenyl)methoxy]-3,3-dimethyl-1H-indol-2-one is CC1(C)C(=O)Nc2ccc(OCc3ccc(F)cc3)cc21.
What is the InChIKey of 5-[(4-fluorophenyl)methoxy]-3,3-dimethyl-1H-indol-2-one?
The InChIKey is HLJCPGMLMBFDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-17(2)14-9-13(7-8-15(14)19-16(17)20)21-10-11-3-5-12(18)6-4-11/h3-9H,10H2,1-2H3,(H,19,20).
What are the key properties of 5-[(4-fluorophenyl)methoxy]-3,3-dimethyl-1H-indol-2-one?
5-[(4-fluorophenyl)methoxy]-3,3-dimethyl-1H-indol-2-one has a molecular weight of 285.32 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methoxy]-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 155563049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).