4-[[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-2,6-dimethylmorpholine

C20H32BNO4 — CID 113249409

IUPAC4-[[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-2,6-dimethylmorpholine
SMILESCOc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN1CC(C)OC(C)C1
InChIInChI=1S/C20H32BNO4/c1-14-11-22(12-15(2)24-14)13-16-10-17(8-9-18(16)23-7)21-25-19(3,4)20(5,6)26-21/h8-10,14-15H,11-13H2,1-7H3
InChIKeyXIDODVZQCGIWJX-UHFFFAOYSA-N
MW361.29 g/mol
LogP2.60
Rot. Bonds4

About 4-[[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-2,6-dimethylmorpholine

4-[[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-2,6-dimethylmorpholine (PubChem CID 113249409) has the molecular formula C20H32BNO4 and a molecular weight of 361.29 g/mol. Its IUPAC name is 4-[[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-2,6-dimethylmorpholine
PubChem CID113249409
Molecular FormulaC20H32BNO4
Molecular Weight361.29 g/mol
Exact Mass361.24
IUPAC Name4-[[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-2,6-dimethylmorpholine
SMILESCOc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN1CC(C)OC(C)C1
InChIInChI=1S/C20H32BNO4/c1-14-11-22(12-15(2)24-14)13-16-10-17(8-9-18(16)23-7)21-25-19(3,4)20(5,6)26-21/h8-10,14-15H,11-13H2,1-7H3
InChIKeyXIDODVZQCGIWJX-UHFFFAOYSA-N
XLogP2.60
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.29
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-[[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-2,6-dimethylmorpholine 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-[[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-2,6-dimethylmorpholine (CID 113249409) is 4-[[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-2,6-dimethylmorpholine is COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CN1CC(C)OC(C)C1.
What is the InChIKey of 4-[[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-2,6-dimethylmorpholine?
The InChIKey is XIDODVZQCGIWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32BNO4/c1-14-11-22(12-15(2)24-14)13-16-10-17(8-9-18(16)23-7)21-25-19(3,4)20(5,6)26-21/h8-10,14-15H,11-13H2,1-7H3.
What are the key properties of 4-[[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-2,6-dimethylmorpholine?
4-[[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-2,6-dimethylmorpholine has a molecular weight of 361.29 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 113249409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).