4,6-dimethoxy-2-methyl-3-(4-methylphenyl)-1-benzofuran

C18H18O3 — CID 71423688

IUPAC4,6-dimethoxy-2-methyl-3-(4-methylphenyl)-1-benzofuran
SMILESCOc1cc(OC)c2c(-c3ccc(C)cc3)c(C)oc2c1
InChIInChI=1S/C18H18O3/c1-11-5-7-13(8-6-11)17-12(2)21-16-10-14(19-3)9-15(20-4)18(16)17/h5-10H,1-4H3
InChIKeyKRISEHTUDHWOCX-UHFFFAOYSA-N
MW282.34 g/mol
LogP4.73
Rot. Bonds3

About 4,6-dimethoxy-2-methyl-3-(4-methylphenyl)-1-benzofuran

4,6-dimethoxy-2-methyl-3-(4-methylphenyl)-1-benzofuran (PubChem CID 71423688) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4,6-dimethoxy-2-methyl-3-(4-methylphenyl)-1-benzofuran.

Molecular Properties

Compound Name4,6-dimethoxy-2-methyl-3-(4-methylphenyl)-1-benzofuran
PubChem CID71423688
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name4,6-dimethoxy-2-methyl-3-(4-methylphenyl)-1-benzofuran
SMILESCOc1cc(OC)c2c(-c3ccc(C)cc3)c(C)oc2c1
InChIInChI=1S/C18H18O3/c1-11-5-7-13(8-6-11)17-12(2)21-16-10-14(19-3)9-15(20-4)18(16)17/h5-10H,1-4H3
InChIKeyKRISEHTUDHWOCX-UHFFFAOYSA-N
XLogP4.73
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-2-methyl-3-(4-methylphenyl)-1-benzofuran?
The IUPAC name of 4,6-dimethoxy-2-methyl-3-(4-methylphenyl)-1-benzofuran (CID 71423688) is 4,6-dimethoxy-2-methyl-3-(4-methylphenyl)-1-benzofuran.
What is the SMILES notation for 4,6-dimethoxy-2-methyl-3-(4-methylphenyl)-1-benzofuran?
The canonical SMILES for 4,6-dimethoxy-2-methyl-3-(4-methylphenyl)-1-benzofuran is COc1cc(OC)c2c(-c3ccc(C)cc3)c(C)oc2c1.
What is the InChIKey of 4,6-dimethoxy-2-methyl-3-(4-methylphenyl)-1-benzofuran?
The InChIKey is KRISEHTUDHWOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-11-5-7-13(8-6-11)17-12(2)21-16-10-14(19-3)9-15(20-4)18(16)17/h5-10H,1-4H3.
What are the key properties of 4,6-dimethoxy-2-methyl-3-(4-methylphenyl)-1-benzofuran?
4,6-dimethoxy-2-methyl-3-(4-methylphenyl)-1-benzofuran has a molecular weight of 282.34 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-2-methyl-3-(4-methylphenyl)-1-benzofuran is sourced from PubChem (CID 71423688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).