1-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-3-(2-methoxyethoxy)propan-2-ol

C15H23NO4 — CID 106992213

IUPAC1-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CN1CCCOc2ccccc21
InChIInChI=1S/C15H23NO4/c1-18-9-10-19-12-13(17)11-16-7-4-8-20-15-6-3-2-5-14(15)16/h2-3,5-6,13,17H,4,7-12H2,1H3
InChIKeyOVMOXXZMGGAZNV-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.30
Rot. Bonds7

About 1-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-3-(2-methoxyethoxy)propan-2-ol

1-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-3-(2-methoxyethoxy)propan-2-ol (PubChem CID 106992213) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-3-(2-methoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-3-(2-methoxyethoxy)propan-2-ol
PubChem CID106992213
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name1-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CN1CCCOc2ccccc21
InChIInChI=1S/C15H23NO4/c1-18-9-10-19-12-13(17)11-16-7-4-8-20-15-6-3-2-5-14(15)16/h2-3,5-6,13,17H,4,7-12H2,1H3
InChIKeyOVMOXXZMGGAZNV-UHFFFAOYSA-N
XLogP1.30
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-3-(2-methoxyethoxy)propan-2-ol 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

1-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-3-methoxypropan-2-ol
CID 112706609
1-[2-hydroxy-3-(2-methoxyethoxy)propyl]-3,4-dihydro-2H-1-benzazepin-5-one
CID 106990763
1-(2-methoxyethoxy)-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-ol
CID 106992074
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 110898516
4-[2-(2-methoxyethoxy)ethyl]-2,3-dihydro-1,4-benzoxazine
CID 163276565
ethyl 3-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)propanoate
CID 112706613
2-(3,4-dihydro-2H-1,5-benzoxazepin-5-ylmethyl)-3,3,3-trifluoropropanethioamide
CID 103368818
2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-methoxy-3-methylbutan-1-amine
CID 116501869
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991698
2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-N-ethyl-3-methoxypropan-1-amine
CID 103227201
methyl 3,4-dihydro-2H-1,5-benzoxazepine-5-carboxylate
CID 66829621
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 90241538

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-3-(2-methoxyethoxy)propan-2-ol?
The IUPAC name of 1-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-3-(2-methoxyethoxy)propan-2-ol (CID 106992213) is 1-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-3-(2-methoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-3-(2-methoxyethoxy)propan-2-ol?
The canonical SMILES for 1-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-3-(2-methoxyethoxy)propan-2-ol is COCCOCC(O)CN1CCCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-3-(2-methoxyethoxy)propan-2-ol?
The InChIKey is OVMOXXZMGGAZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-18-9-10-19-12-13(17)11-16-7-4-8-20-15-6-3-2-5-14(15)16/h2-3,5-6,13,17H,4,7-12H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-3-(2-methoxyethoxy)propan-2-ol?
1-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-3-(2-methoxyethoxy)propan-2-ol has a molecular weight of 281.35 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-3-(2-methoxyethoxy)propan-2-ol is sourced from PubChem (CID 106992213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).