2,3,4-trimethyl-2,3-dihydro-1-benzofuran-5,7-diol

C11H14O3 — CID 22297348

IUPAC2,3,4-trimethyl-2,3-dihydro-1-benzofuran-5,7-diol
SMILESCc1c(O)cc(O)c2c1C(C)C(C)O2
InChIInChI=1S/C11H14O3/c1-5-7(3)14-11-9(13)4-8(12)6(2)10(5)11/h4-5,7,12-13H,1-3H3
InChIKeySASOPTOEUQXKMB-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.29
Rot. Bonds

About 2,3,4-trimethyl-2,3-dihydro-1-benzofuran-5,7-diol

2,3,4-trimethyl-2,3-dihydro-1-benzofuran-5,7-diol (PubChem CID 22297348) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2,3,4-trimethyl-2,3-dihydro-1-benzofuran-5,7-diol.

Molecular Properties

Compound Name2,3,4-trimethyl-2,3-dihydro-1-benzofuran-5,7-diol
PubChem CID22297348
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2,3,4-trimethyl-2,3-dihydro-1-benzofuran-5,7-diol
SMILESCc1c(O)cc(O)c2c1C(C)C(C)O2
InChIInChI=1S/C11H14O3/c1-5-7(3)14-11-9(13)4-8(12)6(2)10(5)11/h4-5,7,12-13H,1-3H3
InChIKeySASOPTOEUQXKMB-UHFFFAOYSA-N
XLogP2.29
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyl-2,3-dihydro-1-benzofuran-5,7-diol?
The IUPAC name of 2,3,4-trimethyl-2,3-dihydro-1-benzofuran-5,7-diol (CID 22297348) is 2,3,4-trimethyl-2,3-dihydro-1-benzofuran-5,7-diol.
What is the SMILES notation for 2,3,4-trimethyl-2,3-dihydro-1-benzofuran-5,7-diol?
The canonical SMILES for 2,3,4-trimethyl-2,3-dihydro-1-benzofuran-5,7-diol is Cc1c(O)cc(O)c2c1C(C)C(C)O2.
What is the InChIKey of 2,3,4-trimethyl-2,3-dihydro-1-benzofuran-5,7-diol?
The InChIKey is SASOPTOEUQXKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-5-7(3)14-11-9(13)4-8(12)6(2)10(5)11/h4-5,7,12-13H,1-3H3.
What are the key properties of 2,3,4-trimethyl-2,3-dihydro-1-benzofuran-5,7-diol?
2,3,4-trimethyl-2,3-dihydro-1-benzofuran-5,7-diol has a molecular weight of 194.23 g/mol, XLogP of 2.29, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-2,3-dihydro-1-benzofuran-5,7-diol is sourced from PubChem (CID 22297348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).