4,6-dimethoxy-3-phenyl-1-benzofuran

C16H14O3 — CID 15426184

IUPAC4,6-dimethoxy-3-phenyl-1-benzofuran
SMILESCOc1cc(OC)c2c(-c3ccccc3)coc2c1
InChIInChI=1S/C16H14O3/c1-17-12-8-14(18-2)16-13(10-19-15(16)9-12)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyHXXIXJDDDOBIBJ-UHFFFAOYSA-N
MW254.28 g/mol
LogP4.12
Rot. Bonds3

About 4,6-dimethoxy-3-phenyl-1-benzofuran

4,6-dimethoxy-3-phenyl-1-benzofuran (PubChem CID 15426184) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is 4,6-dimethoxy-3-phenyl-1-benzofuran.

Molecular Properties

Compound Name4,6-dimethoxy-3-phenyl-1-benzofuran
PubChem CID15426184
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Name4,6-dimethoxy-3-phenyl-1-benzofuran
SMILESCOc1cc(OC)c2c(-c3ccccc3)coc2c1
InChIInChI=1S/C16H14O3/c1-17-12-8-14(18-2)16-13(10-19-15(16)9-12)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyHXXIXJDDDOBIBJ-UHFFFAOYSA-N
XLogP4.12
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-3-phenyl-1-benzofuran?
The IUPAC name of 4,6-dimethoxy-3-phenyl-1-benzofuran (CID 15426184) is 4,6-dimethoxy-3-phenyl-1-benzofuran.
What is the SMILES notation for 4,6-dimethoxy-3-phenyl-1-benzofuran?
The canonical SMILES for 4,6-dimethoxy-3-phenyl-1-benzofuran is COc1cc(OC)c2c(-c3ccccc3)coc2c1.
What is the InChIKey of 4,6-dimethoxy-3-phenyl-1-benzofuran?
The InChIKey is HXXIXJDDDOBIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-17-12-8-14(18-2)16-13(10-19-15(16)9-12)11-6-4-3-5-7-11/h3-10H,1-2H3.
What are the key properties of 4,6-dimethoxy-3-phenyl-1-benzofuran?
4,6-dimethoxy-3-phenyl-1-benzofuran has a molecular weight of 254.28 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-3-phenyl-1-benzofuran is sourced from PubChem (CID 15426184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).