4-methoxy-9-(3-methoxy-5-methylphenyl)-6,7-dimethyl-3H-benzo[f][2]benzofuran-1-one

C23H22O4 — CID 118530000

IUPAC4-methoxy-9-(3-methoxy-5-methylphenyl)-6,7-dimethyl-3H-benzo[f][2]benzofuran-1-one
SMILESCOc1cc(C)cc(-c2c3c(c(OC)c4cc(C)c(C)cc24)COC3=O)c1
InChIInChI=1S/C23H22O4/c1-12-6-15(10-16(7-12)25-4)20-17-8-13(2)14(3)9-18(17)22(26-5)19-11-27-23(24)21(19)20/h6-10H,11H2,1-5H3
InChIKeyWOPWOHBLBITQHU-UHFFFAOYSA-N
MW362.43 g/mol
LogP5.12
Rot. Bonds3

About 4-methoxy-9-(3-methoxy-5-methylphenyl)-6,7-dimethyl-3H-benzo[f][2]benzofuran-1-one

4-methoxy-9-(3-methoxy-5-methylphenyl)-6,7-dimethyl-3H-benzo[f][2]benzofuran-1-one (PubChem CID 118530000) has the molecular formula C23H22O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-methoxy-9-(3-methoxy-5-methylphenyl)-6,7-dimethyl-3H-benzo[f][2]benzofuran-1-one.

Molecular Properties

Compound Name4-methoxy-9-(3-methoxy-5-methylphenyl)-6,7-dimethyl-3H-benzo[f][2]benzofuran-1-one
PubChem CID118530000
Molecular FormulaC23H22O4
Molecular Weight362.43 g/mol
Exact Mass362.15
IUPAC Name4-methoxy-9-(3-methoxy-5-methylphenyl)-6,7-dimethyl-3H-benzo[f][2]benzofuran-1-one
SMILESCOc1cc(C)cc(-c2c3c(c(OC)c4cc(C)c(C)cc24)COC3=O)c1
InChIInChI=1S/C23H22O4/c1-12-6-15(10-16(7-12)25-4)20-17-8-13(2)14(3)9-18(17)22(26-5)19-11-27-23(24)21(19)20/h6-10H,11H2,1-5H3
InChIKeyWOPWOHBLBITQHU-UHFFFAOYSA-N
XLogP5.12
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.43
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-9-(3-methoxy-5-methylphenyl)-6,7-dimethyl-3H-benzo[f][2]benzofuran-1-one?
The IUPAC name of 4-methoxy-9-(3-methoxy-5-methylphenyl)-6,7-dimethyl-3H-benzo[f][2]benzofuran-1-one (CID 118530000) is 4-methoxy-9-(3-methoxy-5-methylphenyl)-6,7-dimethyl-3H-benzo[f][2]benzofuran-1-one.
What is the SMILES notation for 4-methoxy-9-(3-methoxy-5-methylphenyl)-6,7-dimethyl-3H-benzo[f][2]benzofuran-1-one?
The canonical SMILES for 4-methoxy-9-(3-methoxy-5-methylphenyl)-6,7-dimethyl-3H-benzo[f][2]benzofuran-1-one is COc1cc(C)cc(-c2c3c(c(OC)c4cc(C)c(C)cc24)COC3=O)c1.
What is the InChIKey of 4-methoxy-9-(3-methoxy-5-methylphenyl)-6,7-dimethyl-3H-benzo[f][2]benzofuran-1-one?
The InChIKey is WOPWOHBLBITQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O4/c1-12-6-15(10-16(7-12)25-4)20-17-8-13(2)14(3)9-18(17)22(26-5)19-11-27-23(24)21(19)20/h6-10H,11H2,1-5H3.
What are the key properties of 4-methoxy-9-(3-methoxy-5-methylphenyl)-6,7-dimethyl-3H-benzo[f][2]benzofuran-1-one?
4-methoxy-9-(3-methoxy-5-methylphenyl)-6,7-dimethyl-3H-benzo[f][2]benzofuran-1-one has a molecular weight of 362.43 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-9-(3-methoxy-5-methylphenyl)-6,7-dimethyl-3H-benzo[f][2]benzofuran-1-one is sourced from PubChem (CID 118530000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).