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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Related Compounds

5,7-dimethoxy-2-(4-methylphenyl)chromen-4-one
CID 11623517
4,5,7-trimethoxy-3-(4-methoxyphenyl)chromen-2-one
CID 631155
2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one
CID 158796402
4-hydroxy-7,9-dimethoxy-3-phenylpyrano[3,2-b][1]benzofuran-2-one
CID 54749855
2-(4-fluorophenyl)-5,7-dimethoxychromene-4-thione
CID 154714196
5,7-dimethoxy-2-phenylchromene-4-thione
CID 56984400
6-methoxy-2-methyl-3-phenyl-1-benzofuran
CID 3448866
5,7-dimethoxy-2-[2-(4-methoxyphenyl)ethenyl]chromen-4-one
CID 74927743
2-(4-hydroxyphenyl)-3,5,7-trimethoxychromen-4-one
CID 14414499
2-[4-[4-(6,8-dimethoxy-1,3-dimethylisoquinolin-2-ium-2-yl)phenyl]phenyl]-6,8-dimethoxy-1,3-dimethylisoquinolin-2-ium
CID 24762224
5-chloro-3-(4-methoxyphenyl)-2-methyl-1-benzofuran
CID 788114
2-[2-(4-bromophenyl)ethenyl]-5,7-dimethoxychromen-4-one
CID 74927684

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).