7,8-dimethoxy-3-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazole

C20H19NO4 — CID 90677089

IUPAC7,8-dimethoxy-3-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazole
SMILESCOc1ccc(-c2noc3c2CCc2cc(OC)c(OC)cc2-3)cc1
InChIInChI=1S/C20H19NO4/c1-22-14-7-4-12(5-8-14)19-15-9-6-13-10-17(23-2)18(24-3)11-16(13)20(15)25-21-19/h4-5,7-8,10-11H,6,9H2,1-3H3
InChIKeyFMGSFLKZABQPAO-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.13
Rot. Bonds4

About 7,8-dimethoxy-3-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazole

7,8-dimethoxy-3-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazole (PubChem CID 90677089) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 7,8-dimethoxy-3-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazole.

Molecular Properties

Compound Name7,8-dimethoxy-3-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazole
PubChem CID90677089
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name7,8-dimethoxy-3-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazole
SMILESCOc1ccc(-c2noc3c2CCc2cc(OC)c(OC)cc2-3)cc1
InChIInChI=1S/C20H19NO4/c1-22-14-7-4-12(5-8-14)19-15-9-6-13-10-17(23-2)18(24-3)11-16(13)20(15)25-21-19/h4-5,7-8,10-11H,6,9H2,1-3H3
InChIKeyFMGSFLKZABQPAO-UHFFFAOYSA-N
XLogP4.13
TPSA53.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-3-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazole?
The IUPAC name of 7,8-dimethoxy-3-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazole (CID 90677089) is 7,8-dimethoxy-3-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazole.
What is the SMILES notation for 7,8-dimethoxy-3-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazole?
The canonical SMILES for 7,8-dimethoxy-3-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazole is COc1ccc(-c2noc3c2CCc2cc(OC)c(OC)cc2-3)cc1.
What is the InChIKey of 7,8-dimethoxy-3-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazole?
The InChIKey is FMGSFLKZABQPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-22-14-7-4-12(5-8-14)19-15-9-6-13-10-17(23-2)18(24-3)11-16(13)20(15)25-21-19/h4-5,7-8,10-11H,6,9H2,1-3H3.
What are the key properties of 7,8-dimethoxy-3-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazole?
7,8-dimethoxy-3-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazole has a molecular weight of 337.38 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-3-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1,2]benzoxazole is sourced from PubChem (CID 90677089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).