[4-hydroxy-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

C22H29NO3 — CID 11581197

IUPAC[4-hydroxy-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cccc(O)c23)C1(C)C
InChIInChI=1S/C22H29NO3/c1-21(2)20(22(21,3)4)19(25)15-13-23(12-14-8-10-26-11-9-14)16-6-5-7-17(24)18(15)16/h5-7,13-14,20,24H,8-12H2,1-4H3
InChIKeyBRXJBOGZEFKWPQ-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.64
Rot. Bonds4

About [4-hydroxy-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

[4-hydroxy-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 11581197) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is [4-hydroxy-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name[4-hydroxy-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID11581197
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name[4-hydroxy-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cccc(O)c23)C1(C)C
InChIInChI=1S/C22H29NO3/c1-21(2)20(22(21,3)4)19(25)15-13-23(12-14-8-10-26-11-9-14)16-6-5-7-17(24)18(15)16/h5-7,13-14,20,24H,8-12H2,1-4H3
InChIKeyBRXJBOGZEFKWPQ-UHFFFAOYSA-N
XLogP4.64
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-hydroxy-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of [4-hydroxy-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 11581197) is [4-hydroxy-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for [4-hydroxy-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for [4-hydroxy-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cccc(O)c23)C1(C)C.
What is the InChIKey of [4-hydroxy-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is BRXJBOGZEFKWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-21(2)20(22(21,3)4)19(25)15-13-23(12-14-8-10-26-11-9-14)16-6-5-7-17(24)18(15)16/h5-7,13-14,20,24H,8-12H2,1-4H3.
What are the key properties of [4-hydroxy-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
[4-hydroxy-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 355.48 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 11581197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).