5-methoxy-7-methyl-2,3-dihydro-1-benzofuran-6-ol

C10H12O3 — CID 22403480

IUPAC5-methoxy-7-methyl-2,3-dihydro-1-benzofuran-6-ol
SMILESCOc1cc2c(c(C)c1O)OCC2
InChIInChI=1S/C10H12O3/c1-6-9(11)8(12-2)5-7-3-4-13-10(6)7/h5,11H,3-4H2,1-2H3
InChIKeyASAKKQIVHWINRG-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.64
Rot. Bonds1

About 5-methoxy-7-methyl-2,3-dihydro-1-benzofuran-6-ol

5-methoxy-7-methyl-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 22403480) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 5-methoxy-7-methyl-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name5-methoxy-7-methyl-2,3-dihydro-1-benzofuran-6-ol
PubChem CID22403480
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name5-methoxy-7-methyl-2,3-dihydro-1-benzofuran-6-ol
SMILESCOc1cc2c(c(C)c1O)OCC2
InChIInChI=1S/C10H12O3/c1-6-9(11)8(12-2)5-7-3-4-13-10(6)7/h5,11H,3-4H2,1-2H3
InChIKeyASAKKQIVHWINRG-UHFFFAOYSA-N
XLogP1.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-7-methyl-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 5-methoxy-7-methyl-2,3-dihydro-1-benzofuran-6-ol (CID 22403480) is 5-methoxy-7-methyl-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 5-methoxy-7-methyl-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 5-methoxy-7-methyl-2,3-dihydro-1-benzofuran-6-ol is COc1cc2c(c(C)c1O)OCC2.
What is the InChIKey of 5-methoxy-7-methyl-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is ASAKKQIVHWINRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-6-9(11)8(12-2)5-7-3-4-13-10(6)7/h5,11H,3-4H2,1-2H3.
What are the key properties of 5-methoxy-7-methyl-2,3-dihydro-1-benzofuran-6-ol?
5-methoxy-7-methyl-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 180.20 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-7-methyl-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 22403480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).