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

C17H16FNO2 — CID 82172157

IUPAC5-[(4-fluorophenyl)-hydroxymethyl]-1,3-dimethyl-3H-indol-2-one
SMILESCC1C(=O)N(C)c2ccc(C(O)c3ccc(F)cc3)cc21
InChIInChI=1S/C17H16FNO2/c1-10-14-9-12(5-8-15(14)19(2)17(10)21)16(20)11-3-6-13(18)7-4-11/h3-10,16,20H,1-2H3
InChIKeyOFBPXLIQWKQQRF-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.99
Rot. Bonds2

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

5-[(4-fluorophenyl)-hydroxymethyl]-1,3-dimethyl-3H-indol-2-one (PubChem CID 82172157) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)-hydroxymethyl]-1,3-dimethyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[(4-fluorophenyl)-hydroxymethyl]-1,3-dimethyl-3H-indol-2-one
PubChem CID82172157
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name5-[(4-fluorophenyl)-hydroxymethyl]-1,3-dimethyl-3H-indol-2-one
SMILESCC1C(=O)N(C)c2ccc(C(O)c3ccc(F)cc3)cc21
InChIInChI=1S/C17H16FNO2/c1-10-14-9-12(5-8-15(14)19(2)17(10)21)16(20)11-3-6-13(18)7-4-11/h3-10,16,20H,1-2H3
InChIKeyOFBPXLIQWKQQRF-UHFFFAOYSA-N
XLogP2.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Fluorobenzyl)-2-oxo-5-indolinecarboxylic acid
CID 90488080
5-{2-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-1-hydroxy-ethyl}-1,3-dihydro-indol-2-one
CID 14580202
(4R,5R)-5-[(S)-(4-Dimethylamino-phenyl)-hydroxy-methyl]-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44397910
1-Benzyl-5-fluoro-3-hydroxy-3-prop-2-enylindol-2-one
CID 101547754
1H-Isoindol-1-one, 2,3-dihydro-2-[4-(1-hydroxyethyl)phenyl]-
CID 3095895
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
5-(Hydroxymethyl)-1,3-Dihydro-2H-Indol-2-One
CID 59751036
1-[(3-fluorophenyl)methyl]-2-oxo-2,3-dihydro-1H-indole-5-carboxylic acid
CID 90488078
1-(3-fluorobenzoyl)spiro[2H-indole-3,1'-cyclohexane]-5-carboxylic acid
CID 97407712

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)-hydroxymethyl]-1,3-dimethyl-3H-indol-2-one?
The IUPAC name of 5-[(4-fluorophenyl)-hydroxymethyl]-1,3-dimethyl-3H-indol-2-one (CID 82172157) is 5-[(4-fluorophenyl)-hydroxymethyl]-1,3-dimethyl-3H-indol-2-one.
What is the SMILES notation for 5-[(4-fluorophenyl)-hydroxymethyl]-1,3-dimethyl-3H-indol-2-one?
The canonical SMILES for 5-[(4-fluorophenyl)-hydroxymethyl]-1,3-dimethyl-3H-indol-2-one is CC1C(=O)N(C)c2ccc(C(O)c3ccc(F)cc3)cc21.
What is the InChIKey of 5-[(4-fluorophenyl)-hydroxymethyl]-1,3-dimethyl-3H-indol-2-one?
The InChIKey is OFBPXLIQWKQQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-10-14-9-12(5-8-15(14)19(2)17(10)21)16(20)11-3-6-13(18)7-4-11/h3-10,16,20H,1-2H3.
What are the key properties of 5-[(4-fluorophenyl)-hydroxymethyl]-1,3-dimethyl-3H-indol-2-one?
5-[(4-fluorophenyl)-hydroxymethyl]-1,3-dimethyl-3H-indol-2-one has a molecular weight of 285.32 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)-hydroxymethyl]-1,3-dimethyl-3H-indol-2-one is sourced from PubChem (CID 82172157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).