4-(3,5-dimethoxyphenyl)-6,7-dimethoxybenzo[f][2]benzofuran

C22H20O5 — CID 160984068

IUPAC4-(3,5-dimethoxyphenyl)-6,7-dimethoxybenzo[f][2]benzofuran
SMILESCOc1cc(OC)cc(-c2c3cocc3cc3cc(OC)c(OC)cc23)c1
InChIInChI=1S/C22H20O5/c1-23-16-6-14(7-17(9-16)24-2)22-18-10-21(26-4)20(25-3)8-13(18)5-15-11-27-12-19(15)22/h5-12H,1-4H3
InChIKeySZWRZFJREGAOCR-UHFFFAOYSA-N
MW364.40 g/mol
LogP5.29
Rot. Bonds5

About 4-(3,5-dimethoxyphenyl)-6,7-dimethoxybenzo[f][2]benzofuran

4-(3,5-dimethoxyphenyl)-6,7-dimethoxybenzo[f][2]benzofuran (PubChem CID 160984068) has the molecular formula C22H20O5 and a molecular weight of 364.40 g/mol. Its IUPAC name is 4-(3,5-dimethoxyphenyl)-6,7-dimethoxybenzo[f][2]benzofuran.

Molecular Properties

Compound Name4-(3,5-dimethoxyphenyl)-6,7-dimethoxybenzo[f][2]benzofuran
PubChem CID160984068
Molecular FormulaC22H20O5
Molecular Weight364.40 g/mol
Exact Mass364.13
IUPAC Name4-(3,5-dimethoxyphenyl)-6,7-dimethoxybenzo[f][2]benzofuran
SMILESCOc1cc(OC)cc(-c2c3cocc3cc3cc(OC)c(OC)cc23)c1
InChIInChI=1S/C22H20O5/c1-23-16-6-14(7-17(9-16)24-2)22-18-10-21(26-4)20(25-3)8-13(18)5-15-11-27-12-19(15)22/h5-12H,1-4H3
InChIKeySZWRZFJREGAOCR-UHFFFAOYSA-N
XLogP5.29
TPSA50.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.40
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9,10-bis(3,5-dimethoxyphenyl)anthracene
CID 11961931
2-azido-6,7-dimethoxy-4-(4-methoxyphenyl)-1-methylbenzo[f]benzimidazole
CID 102314420
3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-methyl-1-benzofuran
CID 141261100
1,4-bis(3,5-dimethoxyphenyl)-2,3,5,6-tetraphenylbenzene
CID 102293642
2,6-dimethoxy-1-(4-methoxyphenyl)naphthalene
CID 139203574
1-[4-(3,5-dimethoxyphenyl)phenyl]-3,5-dimethoxybenzene
CID 139197183
6,7-dimethoxy-1-methyl-3-(4-methylphenyl)isoquinolin-2-ium chloride
CID 25164825
9,10-bis(4-chlorophenyl)-2,3,6,7-tetramethoxyanthracene
CID 56602037
3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1-benzofuran
CID 71608239
2,6,9,10-tetrakis(4-methoxyphenyl)anthracene
CID 139177810
5-(6,7-dimethoxy-2,3-dimethylnaphthalen-1-yl)-1,3-benzodioxole
CID 71340713
6,7-dimethoxy-1-(4-methoxyphenyl)isoquinoline
CID 50923051

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethoxyphenyl)-6,7-dimethoxybenzo[f][2]benzofuran?
The IUPAC name of 4-(3,5-dimethoxyphenyl)-6,7-dimethoxybenzo[f][2]benzofuran (CID 160984068) is 4-(3,5-dimethoxyphenyl)-6,7-dimethoxybenzo[f][2]benzofuran.
What is the SMILES notation for 4-(3,5-dimethoxyphenyl)-6,7-dimethoxybenzo[f][2]benzofuran?
The canonical SMILES for 4-(3,5-dimethoxyphenyl)-6,7-dimethoxybenzo[f][2]benzofuran is COc1cc(OC)cc(-c2c3cocc3cc3cc(OC)c(OC)cc23)c1.
What is the InChIKey of 4-(3,5-dimethoxyphenyl)-6,7-dimethoxybenzo[f][2]benzofuran?
The InChIKey is SZWRZFJREGAOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O5/c1-23-16-6-14(7-17(9-16)24-2)22-18-10-21(26-4)20(25-3)8-13(18)5-15-11-27-12-19(15)22/h5-12H,1-4H3.
What are the key properties of 4-(3,5-dimethoxyphenyl)-6,7-dimethoxybenzo[f][2]benzofuran?
4-(3,5-dimethoxyphenyl)-6,7-dimethoxybenzo[f][2]benzofuran has a molecular weight of 364.40 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethoxyphenyl)-6,7-dimethoxybenzo[f][2]benzofuran is sourced from PubChem (CID 160984068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).