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

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Related Compounds

2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene
CID 848565
2-(8,9-dimethoxy-3-oxo-5,6-dihydrobenzo[h]cinnolin-2-yl)acetic acid
CID 10757760
7,8-dimethoxy-3-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazole
CID 90677089
4-(4-methoxyphenyl)-3-(2,4,5-trimethoxyphenyl)-1,2-oxazole
CID 58178281
4-(4-bromophenyl)-3-(2,4,5-trimethoxyphenyl)-1,2-oxazole
CID 58178267
N'-[(Z)-(5,6-dimethoxy-2,3-dihydroinden-1-ylidene)amino]carbamimidothioate;platinum(2+);chloride
CID 54752290
methyl 2-hydroxy-6,7-dimethoxy-9,10-dihydrophenanthrene-3-carboxylate
CID 89464855
6,7,14,15-tetramethoxytetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaene
CID 172869288
(6,7-dimethoxy-3-methoxycarbonyl-9,10-dihydrophenanthren-2-yl)oxythallium
CID 144556859
(4E)-4-[[tert-butyl(dimethyl)silyl]hydrazinylidene]-6,7-dimethoxy-2,3-dihydro-1H-naphthalene
CID 134889080
(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanamine
CID 16637178
5-ethoxy-6-methoxy-2,3-dihydroinden-1-one
CID 14635993

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).