(8-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-yl)methanol

C11H15NO2 — CID 165458581

IUPAC(8-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-yl)methanol
SMILESCc1ccc2c(c1)OCCNC2CO
InChIInChI=1S/C11H15NO2/c1-8-2-3-9-10(7-13)12-4-5-14-11(9)6-8/h2-3,6,10,12-13H,4-5,7H2,1H3
InChIKeyDRPZHAPVZDMKSA-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.01
Rot. Bonds1

About (8-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-yl)methanol

(8-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-yl)methanol (PubChem CID 165458581) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (8-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-yl)methanol.

Molecular Properties

Compound Name(8-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-yl)methanol
PubChem CID165458581
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(8-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-yl)methanol
SMILESCc1ccc2c(c1)OCCNC2CO
InChIInChI=1S/C11H15NO2/c1-8-2-3-9-10(7-13)12-4-5-14-11(9)6-8/h2-3,6,10,12-13H,4-5,7H2,1H3
InChIKeyDRPZHAPVZDMKSA-UHFFFAOYSA-N
XLogP1.01
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (8-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-yl)methanol 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 (8-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-yl)methanol?
The IUPAC name of (8-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-yl)methanol (CID 165458581) is (8-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-yl)methanol.
What is the SMILES notation for (8-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-yl)methanol?
The canonical SMILES for (8-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-yl)methanol is Cc1ccc2c(c1)OCCNC2CO.
What is the InChIKey of (8-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-yl)methanol?
The InChIKey is DRPZHAPVZDMKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8-2-3-9-10(7-13)12-4-5-14-11(9)6-8/h2-3,6,10,12-13H,4-5,7H2,1H3.
What are the key properties of (8-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-yl)methanol?
(8-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-yl)methanol has a molecular weight of 193.25 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-yl)methanol is sourced from PubChem (CID 165458581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).