5-methoxy-3-methyl-1-benzofuran;2-methyl-1-benzofuran-5-ol

C19H18O4 — CID 174777865

IUPAC5-methoxy-3-methyl-1-benzofuran;2-methyl-1-benzofuran-5-ol
SMILESCOc1ccc2occ(C)c2c1.Cc1cc2cc(O)ccc2o1
InChIInChI=1S/C10H10O2.C9H8O2/c1-7-6-12-10-4-3-8(11-2)5-9(7)10;1-6-4-7-5-8(10)2-3-9(7)11-6/h3-6H,1-2H3;2-5,10H,1H3
InChIKeyOEEBEZCRHQIFSL-UHFFFAOYSA-N
MW310.35 g/mol
LogP5.20
Rot. Bonds1

About 5-methoxy-3-methyl-1-benzofuran;2-methyl-1-benzofuran-5-ol

5-methoxy-3-methyl-1-benzofuran;2-methyl-1-benzofuran-5-ol (PubChem CID 174777865) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 5-methoxy-3-methyl-1-benzofuran;2-methyl-1-benzofuran-5-ol.

Molecular Properties

Compound Name5-methoxy-3-methyl-1-benzofuran;2-methyl-1-benzofuran-5-ol
PubChem CID174777865
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name5-methoxy-3-methyl-1-benzofuran;2-methyl-1-benzofuran-5-ol
SMILESCOc1ccc2occ(C)c2c1.Cc1cc2cc(O)ccc2o1
InChIInChI=1S/C10H10O2.C9H8O2/c1-7-6-12-10-4-3-8(11-2)5-9(7)10;1-6-4-7-5-8(10)2-3-9(7)11-6/h3-6H,1-2H3;2-5,10H,1H3
InChIKeyOEEBEZCRHQIFSL-UHFFFAOYSA-N
XLogP5.20
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.35
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methyl-1-benzofuran;2-methyl-1-benzofuran-5-ol?
The IUPAC name of 5-methoxy-3-methyl-1-benzofuran;2-methyl-1-benzofuran-5-ol (CID 174777865) is 5-methoxy-3-methyl-1-benzofuran;2-methyl-1-benzofuran-5-ol.
What is the SMILES notation for 5-methoxy-3-methyl-1-benzofuran;2-methyl-1-benzofuran-5-ol?
The canonical SMILES for 5-methoxy-3-methyl-1-benzofuran;2-methyl-1-benzofuran-5-ol is COc1ccc2occ(C)c2c1.Cc1cc2cc(O)ccc2o1.
What is the InChIKey of 5-methoxy-3-methyl-1-benzofuran;2-methyl-1-benzofuran-5-ol?
The InChIKey is OEEBEZCRHQIFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2.C9H8O2/c1-7-6-12-10-4-3-8(11-2)5-9(7)10;1-6-4-7-5-8(10)2-3-9(7)11-6/h3-6H,1-2H3;2-5,10H,1H3.
What are the key properties of 5-methoxy-3-methyl-1-benzofuran;2-methyl-1-benzofuran-5-ol?
5-methoxy-3-methyl-1-benzofuran;2-methyl-1-benzofuran-5-ol has a molecular weight of 310.35 g/mol, XLogP of 5.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methyl-1-benzofuran;2-methyl-1-benzofuran-5-ol is sourced from PubChem (CID 174777865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).