3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-methyl-1-benzofuran

C24H22O4 — CID 141261100

IUPAC3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-methyl-1-benzofuran
SMILESCOc1ccc(-c2oc3ccc(C)cc3c2-c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C24H22O4/c1-15-5-10-22-21(11-15)23(17-12-19(26-3)14-20(13-17)27-4)24(28-22)16-6-8-18(25-2)9-7-16/h5-14H,1-4H3
InChIKeyKWZDWAYXLWNDPG-UHFFFAOYSA-N
MW374.44 g/mol
LogP6.10
Rot. Bonds5

About 3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-methyl-1-benzofuran

3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-methyl-1-benzofuran (PubChem CID 141261100) has the molecular formula C24H22O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-methyl-1-benzofuran.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-methyl-1-benzofuran
PubChem CID141261100
Molecular FormulaC24H22O4
Molecular Weight374.44 g/mol
Exact Mass374.15
IUPAC Name3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-methyl-1-benzofuran
SMILESCOc1ccc(-c2oc3ccc(C)cc3c2-c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C24H22O4/c1-15-5-10-22-21(11-15)23(17-12-19(26-3)14-20(13-17)27-4)24(28-22)16-6-8-18(25-2)9-7-16/h5-14H,1-4H3
InChIKeyKWZDWAYXLWNDPG-UHFFFAOYSA-N
XLogP6.10
TPSA40.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.44
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1-benzofuran
CID 71608239
3-(3-methoxyphenyl)-2-(4-methylphenyl)-1-benzofuran
CID 135057387
4-[2,3-bis(4-methoxyphenyl)-1-benzofuran-5-yl]morpholine
CID 25011565
3-bromo-5-methoxy-2-(4-methoxyphenyl)-1-benzofuran
CID 89479970
2-[4-(4-methoxyphenyl)-6-methyl-2-oxochromen-3-yl]acetic acid
CID 134912016
3-(4-methoxyphenyl)-4-(4-methylphenyl)isochromen-1-one
CID 122367134
3,6-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
CID 14804651
4-[2-(4-methoxyphenyl)-3,5-diphenylfuro[3,2-f][1]benzofuran-6-yl]benzonitrile
CID 10391863
3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-4,6-dimethyl-1-benzofuran
CID 134310060
5-chloro-3-(4-methoxyphenyl)-2-methyl-1-benzofuran
CID 788114
2-(4-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)-1-benzofuran-5-carbaldehyde
CID 141261093
2-methoxy-7-methyldibenzofuran
CID 122387372

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-methyl-1-benzofuran?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-methyl-1-benzofuran (CID 141261100) is 3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-methyl-1-benzofuran.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-methyl-1-benzofuran?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-methyl-1-benzofuran is COc1ccc(-c2oc3ccc(C)cc3c2-c2cc(OC)cc(OC)c2)cc1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-methyl-1-benzofuran?
The InChIKey is KWZDWAYXLWNDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O4/c1-15-5-10-22-21(11-15)23(17-12-19(26-3)14-20(13-17)27-4)24(28-22)16-6-8-18(25-2)9-7-16/h5-14H,1-4H3.
What are the key properties of 3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-methyl-1-benzofuran?
3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-methyl-1-benzofuran has a molecular weight of 374.44 g/mol, XLogP of 6.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-methyl-1-benzofuran is sourced from PubChem (CID 141261100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).