7-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-8-ol

C10H13NO2 — CID 20706180

IUPAC7-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-8-ol
SMILESCc1cc2c(cc1O)OCCNC2
InChIInChI=1S/C10H13NO2/c1-7-4-8-6-11-2-3-13-10(8)5-9(7)12/h4-5,11-12H,2-3,6H2,1H3
InChIKeyMNTXRAFOZQAVQX-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.18
Rot. Bonds

About 7-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-8-ol

7-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-8-ol (PubChem CID 20706180) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 7-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-8-ol.

Molecular Properties

Compound Name7-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-8-ol
PubChem CID20706180
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name7-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-8-ol
SMILESCc1cc2c(cc1O)OCCNC2
InChIInChI=1S/C10H13NO2/c1-7-4-8-6-11-2-3-13-10(8)5-9(7)12/h4-5,11-12H,2-3,6H2,1H3
InChIKeyMNTXRAFOZQAVQX-UHFFFAOYSA-N
XLogP1.18
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-8-ol?
The IUPAC name of 7-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-8-ol (CID 20706180) is 7-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-8-ol.
What is the SMILES notation for 7-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-8-ol?
The canonical SMILES for 7-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-8-ol is Cc1cc2c(cc1O)OCCNC2.
What is the InChIKey of 7-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-8-ol?
The InChIKey is MNTXRAFOZQAVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7-4-8-6-11-2-3-13-10(8)5-9(7)12/h4-5,11-12H,2-3,6H2,1H3.
What are the key properties of 7-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-8-ol?
7-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-8-ol has a molecular weight of 179.22 g/mol, XLogP of 1.18, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-8-ol is sourced from PubChem (CID 20706180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).