7,8-dimethoxy-4,5-dihydrobenzo[g][2,1]benzoxazole

C13H13NO3 — CID 90678325

IUPAC7,8-dimethoxy-4,5-dihydrobenzo[g][2,1]benzoxazole
SMILESCOc1cc2c(cc1OC)-c1nocc1CC2
InChIInChI=1S/C13H13NO3/c1-15-11-5-8-3-4-9-7-17-14-13(9)10(8)6-12(11)16-2/h5-7H,3-4H2,1-2H3
InChIKeyWTKZGXMSOCPUSI-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.46
Rot. Bonds2

About 7,8-dimethoxy-4,5-dihydrobenzo[g][2,1]benzoxazole

7,8-dimethoxy-4,5-dihydrobenzo[g][2,1]benzoxazole (PubChem CID 90678325) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 7,8-dimethoxy-4,5-dihydrobenzo[g][2,1]benzoxazole.

Molecular Properties

Compound Name7,8-dimethoxy-4,5-dihydrobenzo[g][2,1]benzoxazole
PubChem CID90678325
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name7,8-dimethoxy-4,5-dihydrobenzo[g][2,1]benzoxazole
SMILESCOc1cc2c(cc1OC)-c1nocc1CC2
InChIInChI=1S/C13H13NO3/c1-15-11-5-8-3-4-9-7-17-14-13(9)10(8)6-12(11)16-2/h5-7H,3-4H2,1-2H3
InChIKeyWTKZGXMSOCPUSI-UHFFFAOYSA-N
XLogP2.46
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7,8-dimethoxy-4,5-dihydrobenzo[g][2,1]benzoxazole 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 7,8-dimethoxy-4,5-dihydrobenzo[g][2,1]benzoxazole?
The IUPAC name of 7,8-dimethoxy-4,5-dihydrobenzo[g][2,1]benzoxazole (CID 90678325) is 7,8-dimethoxy-4,5-dihydrobenzo[g][2,1]benzoxazole.
What is the SMILES notation for 7,8-dimethoxy-4,5-dihydrobenzo[g][2,1]benzoxazole?
The canonical SMILES for 7,8-dimethoxy-4,5-dihydrobenzo[g][2,1]benzoxazole is COc1cc2c(cc1OC)-c1nocc1CC2.
What is the InChIKey of 7,8-dimethoxy-4,5-dihydrobenzo[g][2,1]benzoxazole?
The InChIKey is WTKZGXMSOCPUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-15-11-5-8-3-4-9-7-17-14-13(9)10(8)6-12(11)16-2/h5-7H,3-4H2,1-2H3.
What are the key properties of 7,8-dimethoxy-4,5-dihydrobenzo[g][2,1]benzoxazole?
7,8-dimethoxy-4,5-dihydrobenzo[g][2,1]benzoxazole has a molecular weight of 231.25 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-4,5-dihydrobenzo[g][2,1]benzoxazole is sourced from PubChem (CID 90678325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).