2-(3,4-dimethoxyphenyl)-5,6-dimethyl-3-phenyl-1-benzofuran

C24H22O3 — CID 11428312

IUPAC2-(3,4-dimethoxyphenyl)-5,6-dimethyl-3-phenyl-1-benzofuran
SMILESCOc1ccc(-c2oc3cc(C)c(C)cc3c2-c2ccccc2)cc1OC
InChIInChI=1S/C24H22O3/c1-15-12-19-21(13-16(15)2)27-24(23(19)17-8-6-5-7-9-17)18-10-11-20(25-3)22(14-18)26-4/h5-14H,1-4H3
InChIKeyHBZDBUVJAWMAKJ-UHFFFAOYSA-N
MW358.44 g/mol
LogP6.40
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)-5,6-dimethyl-3-phenyl-1-benzofuran

2-(3,4-dimethoxyphenyl)-5,6-dimethyl-3-phenyl-1-benzofuran (PubChem CID 11428312) has the molecular formula C24H22O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-5,6-dimethyl-3-phenyl-1-benzofuran.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-5,6-dimethyl-3-phenyl-1-benzofuran
PubChem CID11428312
Molecular FormulaC24H22O3
Molecular Weight358.44 g/mol
Exact Mass358.16
IUPAC Name2-(3,4-dimethoxyphenyl)-5,6-dimethyl-3-phenyl-1-benzofuran
SMILESCOc1ccc(-c2oc3cc(C)c(C)cc3c2-c2ccccc2)cc1OC
InChIInChI=1S/C24H22O3/c1-15-12-19-21(13-16(15)2)27-24(23(19)17-8-6-5-7-9-17)18-10-11-20(25-3)22(14-18)26-4/h5-14H,1-4H3
InChIKeyHBZDBUVJAWMAKJ-UHFFFAOYSA-N
XLogP6.40
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethoxyphenyl)-3-phenylchromen-4-one
CID 140540725
[2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl] benzoate
CID 20999830
2-(3,4-dimethoxyphenyl)-6,7-dimethyl-3-(2-oxopropoxy)chromen-4-one
CID 7742836
6-chloro-2-(3,4-dimethoxyphenyl)-7-methyl-3-(2-phenylethoxy)chromen-4-one
CID 21001406
1-(5-methoxy-2,3-diphenyl-1-benzofuran-6-yl)butane-1,3-dione
CID 12689147
4-[2-(4-methoxyphenyl)-3,5-diphenylfuro[3,2-f][1]benzofuran-6-yl]benzonitrile
CID 10391863
2-(3,4-dimethoxyphenyl)-3-[2-(3,5-dimethylphenoxy)ethoxy]-6,7-dimethylchromen-4-one
CID 20999846
3-[(3-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)-6,7-dimethylchromen-4-one
CID 20999859
3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-4-phenylisoquinoline
CID 11418585
3-iodo-6,7-dimethoxy-2-phenylchromen-4-one
CID 11718442
3-[(4-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)-6,7-dimethylchromen-4-one
CID 20999860
2-phenyl-5-phenylmethoxy-3-(3,4,5-trimethoxyphenyl)-1-benzofuran
CID 102296681

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-5,6-dimethyl-3-phenyl-1-benzofuran?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-5,6-dimethyl-3-phenyl-1-benzofuran (CID 11428312) is 2-(3,4-dimethoxyphenyl)-5,6-dimethyl-3-phenyl-1-benzofuran.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-5,6-dimethyl-3-phenyl-1-benzofuran?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-5,6-dimethyl-3-phenyl-1-benzofuran is COc1ccc(-c2oc3cc(C)c(C)cc3c2-c2ccccc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-5,6-dimethyl-3-phenyl-1-benzofuran?
The InChIKey is HBZDBUVJAWMAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O3/c1-15-12-19-21(13-16(15)2)27-24(23(19)17-8-6-5-7-9-17)18-10-11-20(25-3)22(14-18)26-4/h5-14H,1-4H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-5,6-dimethyl-3-phenyl-1-benzofuran?
2-(3,4-dimethoxyphenyl)-5,6-dimethyl-3-phenyl-1-benzofuran has a molecular weight of 358.44 g/mol, XLogP of 6.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-5,6-dimethyl-3-phenyl-1-benzofuran is sourced from PubChem (CID 11428312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).