3-(2-hydroxyethyl)-1,3-dimethyl-5-(oxan-2-yloxy)indol-2-one

C17H23NO4 — CID 11781702

IUPAC3-(2-hydroxyethyl)-1,3-dimethyl-5-(oxan-2-yloxy)indol-2-one
SMILESCN1C(=O)C(C)(CCO)c2cc(OC3CCCCO3)ccc21
InChIInChI=1S/C17H23NO4/c1-17(8-9-19)13-11-12(22-15-5-3-4-10-21-15)6-7-14(13)18(2)16(17)20/h6-7,11,15,19H,3-5,8-10H2,1-2H3
InChIKeyJBWKKXZMCUNSDQ-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.21
Rot. Bonds4

About 3-(2-hydroxyethyl)-1,3-dimethyl-5-(oxan-2-yloxy)indol-2-one

3-(2-hydroxyethyl)-1,3-dimethyl-5-(oxan-2-yloxy)indol-2-one (PubChem CID 11781702) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-1,3-dimethyl-5-(oxan-2-yloxy)indol-2-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-1,3-dimethyl-5-(oxan-2-yloxy)indol-2-one
PubChem CID11781702
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name3-(2-hydroxyethyl)-1,3-dimethyl-5-(oxan-2-yloxy)indol-2-one
SMILESCN1C(=O)C(C)(CCO)c2cc(OC3CCCCO3)ccc21
InChIInChI=1S/C17H23NO4/c1-17(8-9-19)13-11-12(22-15-5-3-4-10-21-15)6-7-14(13)18(2)16(17)20/h6-7,11,15,19H,3-5,8-10H2,1-2H3
InChIKeyJBWKKXZMCUNSDQ-UHFFFAOYSA-N
XLogP2.21
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-hydroxyethyl)-1,3-dimethyl-5-(oxan-2-yloxy)indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-methyl-2,7-bis(oxan-2-yloxy)fluoren-9-ol
CID 154680130
2-(3,4-dimethylphenoxy)oxane
CID 10987441
1-[2-(4-methylpiperazin-1-yl)-4-[(2R)-oxan-2-yl]oxyphenyl]ethanone
CID 129391965
[2-ethoxy-5-[(2R)-oxan-2-yl]oxyphenyl]methanol
CID 99717398
6-[4-(oxan-2-yloxy)phenoxy]hexan-1-ol
CID 70836225
4-(oxan-2-yloxy)benzoic acid
CID 11183645
4-[(2S)-oxan-2-yl]oxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
CID 124636438
2-[4-[(E)-4-[4-(oxan-2-yloxy)phenyl]hex-3-en-3-yl]phenoxy]oxane
CID 11339567
4-(oxan-2-yloxy)phenol
CID 11745519
2-tert-butyl-4-(oxan-2-yloxy)phenol
CID 12842791
2-methoxy-5-(oxan-2-yloxy)phenol
CID 163802207
[4-[(2R)-oxan-2-yl]oxyphenyl]boronic acid
CID 99738228

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-1,3-dimethyl-5-(oxan-2-yloxy)indol-2-one?
The IUPAC name of 3-(2-hydroxyethyl)-1,3-dimethyl-5-(oxan-2-yloxy)indol-2-one (CID 11781702) is 3-(2-hydroxyethyl)-1,3-dimethyl-5-(oxan-2-yloxy)indol-2-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-1,3-dimethyl-5-(oxan-2-yloxy)indol-2-one?
The canonical SMILES for 3-(2-hydroxyethyl)-1,3-dimethyl-5-(oxan-2-yloxy)indol-2-one is CN1C(=O)C(C)(CCO)c2cc(OC3CCCCO3)ccc21.
What is the InChIKey of 3-(2-hydroxyethyl)-1,3-dimethyl-5-(oxan-2-yloxy)indol-2-one?
The InChIKey is JBWKKXZMCUNSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-17(8-9-19)13-11-12(22-15-5-3-4-10-21-15)6-7-14(13)18(2)16(17)20/h6-7,11,15,19H,3-5,8-10H2,1-2H3.
What are the key properties of 3-(2-hydroxyethyl)-1,3-dimethyl-5-(oxan-2-yloxy)indol-2-one?
3-(2-hydroxyethyl)-1,3-dimethyl-5-(oxan-2-yloxy)indol-2-one has a molecular weight of 305.37 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-1,3-dimethyl-5-(oxan-2-yloxy)indol-2-one is sourced from PubChem (CID 11781702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).