1-ethyl-5-[(4-fluorophenyl)-hydroxymethyl]-3-methyl-3H-indol-2-one

C18H18FNO2 — CID 82172200

IUPAC1-ethyl-5-[(4-fluorophenyl)-hydroxymethyl]-3-methyl-3H-indol-2-one
SMILESCCN1C(=O)C(C)c2cc(C(O)c3ccc(F)cc3)ccc21
InChIInChI=1S/C18H18FNO2/c1-3-20-16-9-6-13(10-15(16)11(2)18(20)22)17(21)12-4-7-14(19)8-5-12/h4-11,17,21H,3H2,1-2H3
InChIKeyMEDORLXJSZATTN-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.38
Rot. Bonds3

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

1-ethyl-5-[(4-fluorophenyl)-hydroxymethyl]-3-methyl-3H-indol-2-one (PubChem CID 82172200) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is 1-ethyl-5-[(4-fluorophenyl)-hydroxymethyl]-3-methyl-3H-indol-2-one.

Molecular Properties

Compound Name1-ethyl-5-[(4-fluorophenyl)-hydroxymethyl]-3-methyl-3H-indol-2-one
PubChem CID82172200
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name1-ethyl-5-[(4-fluorophenyl)-hydroxymethyl]-3-methyl-3H-indol-2-one
SMILESCCN1C(=O)C(C)c2cc(C(O)c3ccc(F)cc3)ccc21
InChIInChI=1S/C18H18FNO2/c1-3-20-16-9-6-13(10-15(16)11(2)18(20)22)17(21)12-4-7-14(19)8-5-12/h4-11,17,21H,3H2,1-2H3
InChIKeyMEDORLXJSZATTN-UHFFFAOYSA-N
XLogP3.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.38
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
[4-(4-fluorophenyl)piperazino](7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1H-1-benzazonin-9-yl)methanone
CID 110201079
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
1-benzyl-3-hydroxy-3H-indol-2-one
CID 57333507
1-[(3-fluorophenyl)methyl]-2-oxo-2,3-dihydro-1H-indole-5-carboxylic acid
CID 90488078

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[(4-fluorophenyl)-hydroxymethyl]-3-methyl-3H-indol-2-one?
The IUPAC name of 1-ethyl-5-[(4-fluorophenyl)-hydroxymethyl]-3-methyl-3H-indol-2-one (CID 82172200) is 1-ethyl-5-[(4-fluorophenyl)-hydroxymethyl]-3-methyl-3H-indol-2-one.
What is the SMILES notation for 1-ethyl-5-[(4-fluorophenyl)-hydroxymethyl]-3-methyl-3H-indol-2-one?
The canonical SMILES for 1-ethyl-5-[(4-fluorophenyl)-hydroxymethyl]-3-methyl-3H-indol-2-one is CCN1C(=O)C(C)c2cc(C(O)c3ccc(F)cc3)ccc21.
What is the InChIKey of 1-ethyl-5-[(4-fluorophenyl)-hydroxymethyl]-3-methyl-3H-indol-2-one?
The InChIKey is MEDORLXJSZATTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-3-20-16-9-6-13(10-15(16)11(2)18(20)22)17(21)12-4-7-14(19)8-5-12/h4-11,17,21H,3H2,1-2H3.
What are the key properties of 1-ethyl-5-[(4-fluorophenyl)-hydroxymethyl]-3-methyl-3H-indol-2-one?
1-ethyl-5-[(4-fluorophenyl)-hydroxymethyl]-3-methyl-3H-indol-2-one has a molecular weight of 299.35 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[(4-fluorophenyl)-hydroxymethyl]-3-methyl-3H-indol-2-one is sourced from PubChem (CID 82172200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).