5-methoxy-3,4-bis(4-methoxyphenyl)-7-phenyl-1-benzofuran-2,6-dione

C29H22O6 — CID 163039669

IUPAC5-methoxy-3,4-bis(4-methoxyphenyl)-7-phenyl-1-benzofuran-2,6-dione
SMILESCOC1=C(c2ccc(OC)cc2)C2=C(c3ccc(OC)cc3)C(=O)OC2=C(c2ccccc2)C1=O
InChIInChI=1S/C29H22O6/c1-32-20-13-9-18(10-14-20)22-25-23(19-11-15-21(33-2)16-12-19)29(31)35-27(25)24(26(30)28(22)34-3)17-7-5-4-6-8-17/h4-16H,1-3H3
InChIKeyBEPNZVMCLZUPKE-UHFFFAOYSA-N
MW466.49 g/mol
LogP5.07
Rot. Bonds6

About 5-methoxy-3,4-bis(4-methoxyphenyl)-7-phenyl-1-benzofuran-2,6-dione

5-methoxy-3,4-bis(4-methoxyphenyl)-7-phenyl-1-benzofuran-2,6-dione (PubChem CID 163039669) has the molecular formula C29H22O6 and a molecular weight of 466.49 g/mol. Its IUPAC name is 5-methoxy-3,4-bis(4-methoxyphenyl)-7-phenyl-1-benzofuran-2,6-dione.

Molecular Properties

Compound Name5-methoxy-3,4-bis(4-methoxyphenyl)-7-phenyl-1-benzofuran-2,6-dione
PubChem CID163039669
Molecular FormulaC29H22O6
Molecular Weight466.49 g/mol
Exact Mass466.14
IUPAC Name5-methoxy-3,4-bis(4-methoxyphenyl)-7-phenyl-1-benzofuran-2,6-dione
SMILESCOC1=C(c2ccc(OC)cc2)C2=C(c3ccc(OC)cc3)C(=O)OC2=C(c2ccccc2)C1=O
InChIInChI=1S/C29H22O6/c1-32-20-13-9-18(10-14-20)22-25-23(19-11-15-21(33-2)16-12-19)29(31)35-27(25)24(26(30)28(22)34-3)17-7-5-4-6-8-17/h4-16H,1-3H3
InChIKeyBEPNZVMCLZUPKE-UHFFFAOYSA-N
XLogP5.07
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.49
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-methoxy-3,4-bis(4-methoxyphenyl)-7-phenyl-1-benzofuran-2,6-dione with MolForge

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Related Compounds

3-[4-[2,4-bis(4-methoxyphenyl)-3-oxo-5-phenylcyclopenta-1,4-dien-1-yl]phenyl]-2,5-bis(4-methoxyphenyl)-4-phenylcyclopenta-2,4-dien-1-one
CID 70843008
2,3-dimethoxy-5-(4-methoxyphenyl)-6-methylcyclohexa-2,5-diene-1,4-dione
CID 53495227
3-(4-methoxyphenyl)-2,5-diphenylcyclopenta-2,4-dien-1-one
CID 150304868
4-chloro-5-(4-methoxyphenyl)furan-2,3-dione
CID 13308165
4-methyl-1-phenylindeno[2,1-b]furan-2-one
CID 71416090
2,3-bis(4-methoxyphenyl)inden-1-one
CID 10991496
methyl 2-[3-methoxy-4-(4-methoxyphenyl)-5-oxofuran-2-ylidene]-2-phenylacetate
CID 632599
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603
(3Z)-3-(3-methoxy-5-oxo-4-phenylfuran-2-ylidene)-1-benzofuran-2-one
CID 90470463
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)furan-2-one
CID 160610749
(2E,6Z)-2-[(4-methoxyphenyl)methylidene]-6-[(4-phenylphenyl)methylidene]cyclohexan-1-one
CID 2313566

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3,4-bis(4-methoxyphenyl)-7-phenyl-1-benzofuran-2,6-dione?
The IUPAC name of 5-methoxy-3,4-bis(4-methoxyphenyl)-7-phenyl-1-benzofuran-2,6-dione (CID 163039669) is 5-methoxy-3,4-bis(4-methoxyphenyl)-7-phenyl-1-benzofuran-2,6-dione.
What is the SMILES notation for 5-methoxy-3,4-bis(4-methoxyphenyl)-7-phenyl-1-benzofuran-2,6-dione?
The canonical SMILES for 5-methoxy-3,4-bis(4-methoxyphenyl)-7-phenyl-1-benzofuran-2,6-dione is COC1=C(c2ccc(OC)cc2)C2=C(c3ccc(OC)cc3)C(=O)OC2=C(c2ccccc2)C1=O.
What is the InChIKey of 5-methoxy-3,4-bis(4-methoxyphenyl)-7-phenyl-1-benzofuran-2,6-dione?
The InChIKey is BEPNZVMCLZUPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22O6/c1-32-20-13-9-18(10-14-20)22-25-23(19-11-15-21(33-2)16-12-19)29(31)35-27(25)24(26(30)28(22)34-3)17-7-5-4-6-8-17/h4-16H,1-3H3.
What are the key properties of 5-methoxy-3,4-bis(4-methoxyphenyl)-7-phenyl-1-benzofuran-2,6-dione?
5-methoxy-3,4-bis(4-methoxyphenyl)-7-phenyl-1-benzofuran-2,6-dione has a molecular weight of 466.49 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3,4-bis(4-methoxyphenyl)-7-phenyl-1-benzofuran-2,6-dione is sourced from PubChem (CID 163039669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).