2,3-dihydro-1-benzofuran-6-ol;3-methoxy-4-methylphenol

C16H18O4 — CID 162092836

IUPAC2,3-dihydro-1-benzofuran-6-ol;3-methoxy-4-methylphenol
SMILESCOc1cc(O)ccc1C.Oc1ccc2c(c1)OCC2
InChIInChI=1S/C8H8O2.C8H10O2/c9-7-2-1-6-3-4-10-8(6)5-7;1-6-3-4-7(9)5-8(6)10-2/h1-2,5,9H,3-4H2;3-5,9H,1-2H3
InChIKeyZDVRYZDSAZYTBC-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.04
Rot. Bonds1

About 2,3-dihydro-1-benzofuran-6-ol;3-methoxy-4-methylphenol

2,3-dihydro-1-benzofuran-6-ol;3-methoxy-4-methylphenol (PubChem CID 162092836) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-6-ol;3-methoxy-4-methylphenol.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-6-ol;3-methoxy-4-methylphenol
PubChem CID162092836
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Name2,3-dihydro-1-benzofuran-6-ol;3-methoxy-4-methylphenol
SMILESCOc1cc(O)ccc1C.Oc1ccc2c(c1)OCC2
InChIInChI=1S/C8H8O2.C8H10O2/c9-7-2-1-6-3-4-10-8(6)5-7;1-6-3-4-7(9)5-8(6)10-2/h1-2,5,9H,3-4H2;3-5,9H,1-2H3
InChIKeyZDVRYZDSAZYTBC-UHFFFAOYSA-N
XLogP3.04
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-6-ol;3-methoxy-4-methylphenol?
The IUPAC name of 2,3-dihydro-1-benzofuran-6-ol;3-methoxy-4-methylphenol (CID 162092836) is 2,3-dihydro-1-benzofuran-6-ol;3-methoxy-4-methylphenol.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-6-ol;3-methoxy-4-methylphenol?
The canonical SMILES for 2,3-dihydro-1-benzofuran-6-ol;3-methoxy-4-methylphenol is COc1cc(O)ccc1C.Oc1ccc2c(c1)OCC2.
What is the InChIKey of 2,3-dihydro-1-benzofuran-6-ol;3-methoxy-4-methylphenol?
The InChIKey is ZDVRYZDSAZYTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.C8H10O2/c9-7-2-1-6-3-4-10-8(6)5-7;1-6-3-4-7(9)5-8(6)10-2/h1-2,5,9H,3-4H2;3-5,9H,1-2H3.
What are the key properties of 2,3-dihydro-1-benzofuran-6-ol;3-methoxy-4-methylphenol?
2,3-dihydro-1-benzofuran-6-ol;3-methoxy-4-methylphenol has a molecular weight of 274.32 g/mol, XLogP of 3.04, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-6-ol;3-methoxy-4-methylphenol is sourced from PubChem (CID 162092836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).