4-(3,5-dimethoxyphenyl)-1H-benzo[f][2]benzofuran-3-one

C20H16O4 — CID 25058711

IUPAC4-(3,5-dimethoxyphenyl)-1H-benzo[f][2]benzofuran-3-one
SMILESCOc1cc(OC)cc(-c2c3c(cc4ccccc24)COC3=O)c1
InChIInChI=1S/C20H16O4/c1-22-15-8-13(9-16(10-15)23-2)18-17-6-4-3-5-12(17)7-14-11-24-20(21)19(14)18/h3-10H,11H2,1-2H3
InChIKeyPINAVZYNTOOVDX-UHFFFAOYSA-N
MW320.34 g/mol
LogP4.19
Rot. Bonds3

About 4-(3,5-dimethoxyphenyl)-1H-benzo[f][2]benzofuran-3-one

4-(3,5-dimethoxyphenyl)-1H-benzo[f][2]benzofuran-3-one (PubChem CID 25058711) has the molecular formula C20H16O4 and a molecular weight of 320.34 g/mol. Its IUPAC name is 4-(3,5-dimethoxyphenyl)-1H-benzo[f][2]benzofuran-3-one.

Molecular Properties

Compound Name4-(3,5-dimethoxyphenyl)-1H-benzo[f][2]benzofuran-3-one
PubChem CID25058711
Molecular FormulaC20H16O4
Molecular Weight320.34 g/mol
Exact Mass320.10
IUPAC Name4-(3,5-dimethoxyphenyl)-1H-benzo[f][2]benzofuran-3-one
SMILESCOc1cc(OC)cc(-c2c3c(cc4ccccc24)COC3=O)c1
InChIInChI=1S/C20H16O4/c1-22-15-8-13(9-16(10-15)23-2)18-17-6-4-3-5-12(17)7-14-11-24-20(21)19(14)18/h3-10H,11H2,1-2H3
InChIKeyPINAVZYNTOOVDX-UHFFFAOYSA-N
XLogP4.19
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(3,5-dimethoxyphenyl)-1H-benzo[f][2]benzofuran-3-one with MolForge

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Related Compounds

5,7-dimethoxy-3H-2-benzofuran-1-one
CID 7314397
9,10-bis(3,5-dimethoxyphenyl)anthracene
CID 11961931
4-hydroxy-9-(4-methoxyphenyl)-3H-benzo[f][2]benzofuran-1-one
CID 14057718
6,7-dimethoxy-4-quinolin-7-yl-1H-benzo[f][2]benzofuran-3-one
CID 171059418
4-(2-methoxynaphthalen-1-yl)-6-phenyl-1H-furo[3,4-c]pyridin-3-one
CID 177395500
3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1-benzofuran
CID 71608239
4-methoxy-9-(4-methoxyphenyl)-6,7-dimethyl-3H-benzo[f][2]benzofuran-1-one
CID 118529990
4-(1,3-benzodioxol-5-yl)-5,6-dimethoxy-1H-benzo[f][2]benzofuran-3-one
CID 11122050
4-[6-(diethylamino)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one
CID 165394194
4-[4-[ethyl(2-methoxyethyl)amino]phenyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one
CID 165394147
4-methoxy-9-(3-methoxy-5-methylphenyl)-6,7-dimethyl-3H-benzo[f][2]benzofuran-1-one
CID 118530000
4-methoxy-3H-benzo[f][2]benzofuran-1-one
CID 12869115

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethoxyphenyl)-1H-benzo[f][2]benzofuran-3-one?
The IUPAC name of 4-(3,5-dimethoxyphenyl)-1H-benzo[f][2]benzofuran-3-one (CID 25058711) is 4-(3,5-dimethoxyphenyl)-1H-benzo[f][2]benzofuran-3-one.
What is the SMILES notation for 4-(3,5-dimethoxyphenyl)-1H-benzo[f][2]benzofuran-3-one?
The canonical SMILES for 4-(3,5-dimethoxyphenyl)-1H-benzo[f][2]benzofuran-3-one is COc1cc(OC)cc(-c2c3c(cc4ccccc24)COC3=O)c1.
What is the InChIKey of 4-(3,5-dimethoxyphenyl)-1H-benzo[f][2]benzofuran-3-one?
The InChIKey is PINAVZYNTOOVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O4/c1-22-15-8-13(9-16(10-15)23-2)18-17-6-4-3-5-12(17)7-14-11-24-20(21)19(14)18/h3-10H,11H2,1-2H3.
What are the key properties of 4-(3,5-dimethoxyphenyl)-1H-benzo[f][2]benzofuran-3-one?
4-(3,5-dimethoxyphenyl)-1H-benzo[f][2]benzofuran-3-one has a molecular weight of 320.34 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethoxyphenyl)-1H-benzo[f][2]benzofuran-3-one is sourced from PubChem (CID 25058711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).