7-methoxy-2,2,4,6-tetramethyl-3H-1-benzofuran-5-ol

C13H18O3 — CID 20650278

IUPAC7-methoxy-2,2,4,6-tetramethyl-3H-1-benzofuran-5-ol
SMILESCOc1c(C)c(O)c(C)c2c1OC(C)(C)C2
InChIInChI=1S/C13H18O3/c1-7-9-6-13(3,4)16-12(9)11(15-5)8(2)10(7)14/h14H,6H2,1-5H3
InChIKeyQQJCVPFRHASJAK-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.73
Rot. Bonds1

About 7-methoxy-2,2,4,6-tetramethyl-3H-1-benzofuran-5-ol

7-methoxy-2,2,4,6-tetramethyl-3H-1-benzofuran-5-ol (PubChem CID 20650278) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 7-methoxy-2,2,4,6-tetramethyl-3H-1-benzofuran-5-ol.

Molecular Properties

Compound Name7-methoxy-2,2,4,6-tetramethyl-3H-1-benzofuran-5-ol
PubChem CID20650278
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name7-methoxy-2,2,4,6-tetramethyl-3H-1-benzofuran-5-ol
SMILESCOc1c(C)c(O)c(C)c2c1OC(C)(C)C2
InChIInChI=1S/C13H18O3/c1-7-9-6-13(3,4)16-12(9)11(15-5)8(2)10(7)14/h14H,6H2,1-5H3
InChIKeyQQJCVPFRHASJAK-UHFFFAOYSA-N
XLogP2.73
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,2,4,6-tetramethyl-3H-1-benzofuran-5-ol?
The IUPAC name of 7-methoxy-2,2,4,6-tetramethyl-3H-1-benzofuran-5-ol (CID 20650278) is 7-methoxy-2,2,4,6-tetramethyl-3H-1-benzofuran-5-ol.
What is the SMILES notation for 7-methoxy-2,2,4,6-tetramethyl-3H-1-benzofuran-5-ol?
The canonical SMILES for 7-methoxy-2,2,4,6-tetramethyl-3H-1-benzofuran-5-ol is COc1c(C)c(O)c(C)c2c1OC(C)(C)C2.
What is the InChIKey of 7-methoxy-2,2,4,6-tetramethyl-3H-1-benzofuran-5-ol?
The InChIKey is QQJCVPFRHASJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-7-9-6-13(3,4)16-12(9)11(15-5)8(2)10(7)14/h14H,6H2,1-5H3.
What are the key properties of 7-methoxy-2,2,4,6-tetramethyl-3H-1-benzofuran-5-ol?
7-methoxy-2,2,4,6-tetramethyl-3H-1-benzofuran-5-ol has a molecular weight of 222.28 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,2,4,6-tetramethyl-3H-1-benzofuran-5-ol is sourced from PubChem (CID 20650278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).