7-[(4-fluorophenyl)-hydroxymethyl]-3,5-dimethyl-1,3-dihydroindol-2-one

C17H16FNO2 — CID 82172486

IUPAC7-[(4-fluorophenyl)-hydroxymethyl]-3,5-dimethyl-1,3-dihydroindol-2-one
SMILESCc1cc2c(c(C(O)c3ccc(F)cc3)c1)NC(=O)C2C
InChIInChI=1S/C17H16FNO2/c1-9-7-13-10(2)17(21)19-15(13)14(8-9)16(20)11-3-5-12(18)6-4-11/h3-8,10,16,20H,1-2H3,(H,19,21)
InChIKeyBDHZIUAHBZJUMA-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.27
Rot. Bonds2

About 7-[(4-fluorophenyl)-hydroxymethyl]-3,5-dimethyl-1,3-dihydroindol-2-one

7-[(4-fluorophenyl)-hydroxymethyl]-3,5-dimethyl-1,3-dihydroindol-2-one (PubChem CID 82172486) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)-hydroxymethyl]-3,5-dimethyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-[(4-fluorophenyl)-hydroxymethyl]-3,5-dimethyl-1,3-dihydroindol-2-one
PubChem CID82172486
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name7-[(4-fluorophenyl)-hydroxymethyl]-3,5-dimethyl-1,3-dihydroindol-2-one
SMILESCc1cc2c(c(C(O)c3ccc(F)cc3)c1)NC(=O)C2C
InChIInChI=1S/C17H16FNO2/c1-9-7-13-10(2)17(21)19-15(13)14(8-9)16(20)11-3-5-12(18)6-4-11/h3-8,10,16,20H,1-2H3,(H,19,21)
InChIKeyBDHZIUAHBZJUMA-UHFFFAOYSA-N
XLogP3.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cycloheptyl-6-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one
CID 25061848
5-fluoro-3-hydroxy-2,3-dihydro-1H-indol-2-one
CID 2741177
3-(4-fluorophenyl)-3-(4-hydroxyphenyl)-5,7-dimethyl-1H-indol-2-one
CID 49782376
3-cycloheptyl-3-(4-hydroxyphenyl)-5,7-dimethyl-1H-indol-2-one
CID 25062919
3-cycloheptyl-5-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one
CID 25063182
3-(4-fluoro-3-methylphenyl)-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 3830750
5-{2-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-1-hydroxy-ethyl}-1,3-dihydro-indol-2-one
CID 14580202
2H-Indol-2-one, 1,3-dihydro-3-hydroxy-5-methyl-
CID 57488
5-[(1S,2S)-2-(4-Benzyl-piperidin-1-yl)-1-hydroxy-propyl]-1,3-dihydro-indol-2-one
CID 9929020
5-[(1S,2S)-1-Hydroxy-2-(4-phenyl-piperidin-1-yl)-propyl]-1,3-dihydro-indol-2-one
CID 44383751
5-[(1R,2S)-2-(4-Benzyl-piperidin-1-yl)-1-hydroxy-propyl]-1,3-dihydro-indol-2-one
CID 44384451
5-(1-hydroxyethyl)-2,3-dihydro-1H-indol-2-one
CID 47002707

Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)-hydroxymethyl]-3,5-dimethyl-1,3-dihydroindol-2-one?
The IUPAC name of 7-[(4-fluorophenyl)-hydroxymethyl]-3,5-dimethyl-1,3-dihydroindol-2-one (CID 82172486) is 7-[(4-fluorophenyl)-hydroxymethyl]-3,5-dimethyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-[(4-fluorophenyl)-hydroxymethyl]-3,5-dimethyl-1,3-dihydroindol-2-one?
The canonical SMILES for 7-[(4-fluorophenyl)-hydroxymethyl]-3,5-dimethyl-1,3-dihydroindol-2-one is Cc1cc2c(c(C(O)c3ccc(F)cc3)c1)NC(=O)C2C.
What is the InChIKey of 7-[(4-fluorophenyl)-hydroxymethyl]-3,5-dimethyl-1,3-dihydroindol-2-one?
The InChIKey is BDHZIUAHBZJUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-9-7-13-10(2)17(21)19-15(13)14(8-9)16(20)11-3-5-12(18)6-4-11/h3-8,10,16,20H,1-2H3,(H,19,21).
What are the key properties of 7-[(4-fluorophenyl)-hydroxymethyl]-3,5-dimethyl-1,3-dihydroindol-2-one?
7-[(4-fluorophenyl)-hydroxymethyl]-3,5-dimethyl-1,3-dihydroindol-2-one has a molecular weight of 285.32 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)-hydroxymethyl]-3,5-dimethyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82172486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).