4-methoxy-9-(4-methoxyphenyl)-6,7-dimethyl-3H-benzo[f][2]benzofuran-1-one

C22H20O4 — CID 118529990

IUPAC4-methoxy-9-(4-methoxyphenyl)-6,7-dimethyl-3H-benzo[f][2]benzofuran-1-one
SMILESCOc1ccc(-c2c3c(c(OC)c4cc(C)c(C)cc24)COC3=O)cc1
InChIInChI=1S/C22H20O4/c1-12-9-16-17(10-13(12)2)21(25-4)18-11-26-22(23)20(18)19(16)14-5-7-15(24-3)8-6-14/h5-10H,11H2,1-4H3
InChIKeyXEBKVQAYUBALDM-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.81
Rot. Bonds3

About 4-methoxy-9-(4-methoxyphenyl)-6,7-dimethyl-3H-benzo[f][2]benzofuran-1-one

4-methoxy-9-(4-methoxyphenyl)-6,7-dimethyl-3H-benzo[f][2]benzofuran-1-one (PubChem CID 118529990) has the molecular formula C22H20O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 4-methoxy-9-(4-methoxyphenyl)-6,7-dimethyl-3H-benzo[f][2]benzofuran-1-one.

Molecular Properties

Compound Name4-methoxy-9-(4-methoxyphenyl)-6,7-dimethyl-3H-benzo[f][2]benzofuran-1-one
PubChem CID118529990
Molecular FormulaC22H20O4
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Name4-methoxy-9-(4-methoxyphenyl)-6,7-dimethyl-3H-benzo[f][2]benzofuran-1-one
SMILESCOc1ccc(-c2c3c(c(OC)c4cc(C)c(C)cc24)COC3=O)cc1
InChIInChI=1S/C22H20O4/c1-12-9-16-17(10-13(12)2)21(25-4)18-11-26-22(23)20(18)19(16)14-5-7-15(24-3)8-6-14/h5-10H,11H2,1-4H3
InChIKeyXEBKVQAYUBALDM-UHFFFAOYSA-N
XLogP4.81
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.81
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)-6,7-dimethyl-3H-benzo[f][2]benzofuran-1-one?
The IUPAC name of 4-methoxy-9-(4-methoxyphenyl)-6,7-dimethyl-3H-benzo[f][2]benzofuran-1-one (CID 118529990) is 4-methoxy-9-(4-methoxyphenyl)-6,7-dimethyl-3H-benzo[f][2]benzofuran-1-one.
What is the SMILES notation for 4-methoxy-9-(4-methoxyphenyl)-6,7-dimethyl-3H-benzo[f][2]benzofuran-1-one?
The canonical SMILES for 4-methoxy-9-(4-methoxyphenyl)-6,7-dimethyl-3H-benzo[f][2]benzofuran-1-one is COc1ccc(-c2c3c(c(OC)c4cc(C)c(C)cc24)COC3=O)cc1.
What is the InChIKey of 4-methoxy-9-(4-methoxyphenyl)-6,7-dimethyl-3H-benzo[f][2]benzofuran-1-one?
The InChIKey is XEBKVQAYUBALDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O4/c1-12-9-16-17(10-13(12)2)21(25-4)18-11-26-22(23)20(18)19(16)14-5-7-15(24-3)8-6-14/h5-10H,11H2,1-4H3.
What are the key properties of 4-methoxy-9-(4-methoxyphenyl)-6,7-dimethyl-3H-benzo[f][2]benzofuran-1-one?
4-methoxy-9-(4-methoxyphenyl)-6,7-dimethyl-3H-benzo[f][2]benzofuran-1-one has a molecular weight of 348.40 g/mol, XLogP of 4.81, 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)-6,7-dimethyl-3H-benzo[f][2]benzofuran-1-one is sourced from PubChem (CID 118529990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).