3-[7-methoxy-2-(4-methoxy-2-methylphenyl)-1-benzofuran-5-yl]propan-1-ol

C20H22O4 — CID 91886014

IUPAC3-[7-methoxy-2-(4-methoxy-2-methylphenyl)-1-benzofuran-5-yl]propan-1-ol
SMILESCOc1ccc(-c2cc3cc(CCCO)cc(OC)c3o2)c(C)c1
InChIInChI=1S/C20H22O4/c1-13-9-16(22-2)6-7-17(13)18-12-15-10-14(5-4-8-21)11-19(23-3)20(15)24-18/h6-7,9-12,21H,4-5,8H2,1-3H3
InChIKeyFNYZIYIKZJWFQG-UHFFFAOYSA-N
MW326.39 g/mol
LogP4.35
Rot. Bonds6

About 3-[7-methoxy-2-(4-methoxy-2-methylphenyl)-1-benzofuran-5-yl]propan-1-ol

3-[7-methoxy-2-(4-methoxy-2-methylphenyl)-1-benzofuran-5-yl]propan-1-ol (PubChem CID 91886014) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is 3-[7-methoxy-2-(4-methoxy-2-methylphenyl)-1-benzofuran-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-[7-methoxy-2-(4-methoxy-2-methylphenyl)-1-benzofuran-5-yl]propan-1-ol
PubChem CID91886014
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name3-[7-methoxy-2-(4-methoxy-2-methylphenyl)-1-benzofuran-5-yl]propan-1-ol
SMILESCOc1ccc(-c2cc3cc(CCCO)cc(OC)c3o2)c(C)c1
InChIInChI=1S/C20H22O4/c1-13-9-16(22-2)6-7-17(13)18-12-15-10-14(5-4-8-21)11-19(23-3)20(15)24-18/h6-7,9-12,21H,4-5,8H2,1-3H3
InChIKeyFNYZIYIKZJWFQG-UHFFFAOYSA-N
XLogP4.35
TPSA51.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[7-methoxy-2-(4-methoxy-2-methylphenyl)-1-benzofuran-5-yl]propan-1-ol?
The IUPAC name of 3-[7-methoxy-2-(4-methoxy-2-methylphenyl)-1-benzofuran-5-yl]propan-1-ol (CID 91886014) is 3-[7-methoxy-2-(4-methoxy-2-methylphenyl)-1-benzofuran-5-yl]propan-1-ol.
What is the SMILES notation for 3-[7-methoxy-2-(4-methoxy-2-methylphenyl)-1-benzofuran-5-yl]propan-1-ol?
The canonical SMILES for 3-[7-methoxy-2-(4-methoxy-2-methylphenyl)-1-benzofuran-5-yl]propan-1-ol is COc1ccc(-c2cc3cc(CCCO)cc(OC)c3o2)c(C)c1.
What is the InChIKey of 3-[7-methoxy-2-(4-methoxy-2-methylphenyl)-1-benzofuran-5-yl]propan-1-ol?
The InChIKey is FNYZIYIKZJWFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O4/c1-13-9-16(22-2)6-7-17(13)18-12-15-10-14(5-4-8-21)11-19(23-3)20(15)24-18/h6-7,9-12,21H,4-5,8H2,1-3H3.
What are the key properties of 3-[7-methoxy-2-(4-methoxy-2-methylphenyl)-1-benzofuran-5-yl]propan-1-ol?
3-[7-methoxy-2-(4-methoxy-2-methylphenyl)-1-benzofuran-5-yl]propan-1-ol has a molecular weight of 326.39 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-methoxy-2-(4-methoxy-2-methylphenyl)-1-benzofuran-5-yl]propan-1-ol is sourced from PubChem (CID 91886014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).