4-methoxy-9-(4-methoxyphenyl)benzo[g][1,3]benzodioxole

C19H16O4 — CID 51138512

IUPAC4-methoxy-9-(4-methoxyphenyl)benzo[g][1,3]benzodioxole
SMILESCOc1ccc(-c2cccc3cc(OC)c4c(c23)OCO4)cc1
InChIInChI=1S/C19H16O4/c1-20-14-8-6-12(7-9-14)15-5-3-4-13-10-16(21-2)18-19(17(13)15)23-11-22-18/h3-10H,11H2,1-2H3
InChIKeyPKDXXLGDIJWCPI-UHFFFAOYSA-N
MW308.33 g/mol
LogP4.25
Rot. Bonds3

About 4-methoxy-9-(4-methoxyphenyl)benzo[g][1,3]benzodioxole

4-methoxy-9-(4-methoxyphenyl)benzo[g][1,3]benzodioxole (PubChem CID 51138512) has the molecular formula C19H16O4 and a molecular weight of 308.33 g/mol. Its IUPAC name is 4-methoxy-9-(4-methoxyphenyl)benzo[g][1,3]benzodioxole.

Molecular Properties

Compound Name4-methoxy-9-(4-methoxyphenyl)benzo[g][1,3]benzodioxole
PubChem CID51138512
Molecular FormulaC19H16O4
Molecular Weight308.33 g/mol
Exact Mass308.10
IUPAC Name4-methoxy-9-(4-methoxyphenyl)benzo[g][1,3]benzodioxole
SMILESCOc1ccc(-c2cccc3cc(OC)c4c(c23)OCO4)cc1
InChIInChI=1S/C19H16O4/c1-20-14-8-6-12(7-9-14)15-5-3-4-13-10-16(21-2)18-19(17(13)15)23-11-22-18/h3-10H,11H2,1-2H3
InChIKeyPKDXXLGDIJWCPI-UHFFFAOYSA-N
XLogP4.25
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-9-(4-methoxyphenyl)benzo[g][1,3]benzodioxole?
The IUPAC name of 4-methoxy-9-(4-methoxyphenyl)benzo[g][1,3]benzodioxole (CID 51138512) is 4-methoxy-9-(4-methoxyphenyl)benzo[g][1,3]benzodioxole.
What is the SMILES notation for 4-methoxy-9-(4-methoxyphenyl)benzo[g][1,3]benzodioxole?
The canonical SMILES for 4-methoxy-9-(4-methoxyphenyl)benzo[g][1,3]benzodioxole is COc1ccc(-c2cccc3cc(OC)c4c(c23)OCO4)cc1.
What is the InChIKey of 4-methoxy-9-(4-methoxyphenyl)benzo[g][1,3]benzodioxole?
The InChIKey is PKDXXLGDIJWCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4/c1-20-14-8-6-12(7-9-14)15-5-3-4-13-10-16(21-2)18-19(17(13)15)23-11-22-18/h3-10H,11H2,1-2H3.
What are the key properties of 4-methoxy-9-(4-methoxyphenyl)benzo[g][1,3]benzodioxole?
4-methoxy-9-(4-methoxyphenyl)benzo[g][1,3]benzodioxole has a molecular weight of 308.33 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-9-(4-methoxyphenyl)benzo[g][1,3]benzodioxole is sourced from PubChem (CID 51138512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).