3-(3,4-dimethoxyphenyl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole

C20H19NO4 — CID 90677090

IUPAC3-(3,4-dimethoxyphenyl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole
SMILESCOc1ccc2c(c1)CCc1c(-c3ccc(OC)c(OC)c3)noc1-2
InChIInChI=1S/C20H19NO4/c1-22-14-6-8-15-12(10-14)4-7-16-19(21-25-20(15)16)13-5-9-17(23-2)18(11-13)24-3/h5-6,8-11H,4,7H2,1-3H3
InChIKeyLDWYOSADDJFUAA-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.13
Rot. Bonds4

About 3-(3,4-dimethoxyphenyl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole

3-(3,4-dimethoxyphenyl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole (PubChem CID 90677090) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole
PubChem CID90677090
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name3-(3,4-dimethoxyphenyl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole
SMILESCOc1ccc2c(c1)CCc1c(-c3ccc(OC)c(OC)c3)noc1-2
InChIInChI=1S/C20H19NO4/c1-22-14-6-8-15-12(10-14)4-7-16-19(21-25-20(15)16)13-5-9-17(23-2)18(11-13)24-3/h5-6,8-11H,4,7H2,1-3H3
InChIKeyLDWYOSADDJFUAA-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 3-(3,4-dimethoxyphenyl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole (CID 90677090) is 3-(3,4-dimethoxyphenyl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole is COc1ccc2c(c1)CCc1c(-c3ccc(OC)c(OC)c3)noc1-2.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole?
The InChIKey is LDWYOSADDJFUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-22-14-6-8-15-12(10-14)4-7-16-19(21-25-20(15)16)13-5-9-17(23-2)18(11-13)24-3/h5-6,8-11H,4,7H2,1-3H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole?
3-(3,4-dimethoxyphenyl)-7-methoxy-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 3-(3,4-dimethoxyphenyl)-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole is sourced from PubChem (CID 90677090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).