(1R,3R)-3-ethyl-1-methyl-3H-2-benzofuran-1-ol

C11H14O2 — CID 15741867

IUPAC(1R,3R)-3-ethyl-1-methyl-3H-2-benzofuran-1-ol
SMILESCC[C@H]1O[C@@](C)(O)c2ccccc21
InChIInChI=1S/C11H14O2/c1-3-10-8-6-4-5-7-9(8)11(2,12)13-10/h4-7,10,12H,3H2,1-2H3/t10-,11-/m1/s1
InChIKeyUDBGTECCGJTPJH-GHMZBOCLSA-N
MW178.23 g/mol
LogP2.33
Rot. Bonds1

About (1R,3R)-3-ethyl-1-methyl-3H-2-benzofuran-1-ol

(1R,3R)-3-ethyl-1-methyl-3H-2-benzofuran-1-ol (PubChem CID 15741867) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (1R,3R)-3-ethyl-1-methyl-3H-2-benzofuran-1-ol.

Molecular Properties

Compound Name(1R,3R)-3-ethyl-1-methyl-3H-2-benzofuran-1-ol
PubChem CID15741867
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(1R,3R)-3-ethyl-1-methyl-3H-2-benzofuran-1-ol
SMILESCC[C@H]1O[C@@](C)(O)c2ccccc21
InChIInChI=1S/C11H14O2/c1-3-10-8-6-4-5-7-9(8)11(2,12)13-10/h4-7,10,12H,3H2,1-2H3/t10-,11-/m1/s1
InChIKeyUDBGTECCGJTPJH-GHMZBOCLSA-N
XLogP2.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,3R)-3-ethyl-1-methyl-3H-2-benzofuran-1-ol?
The IUPAC name of (1R,3R)-3-ethyl-1-methyl-3H-2-benzofuran-1-ol (CID 15741867) is (1R,3R)-3-ethyl-1-methyl-3H-2-benzofuran-1-ol.
What is the SMILES notation for (1R,3R)-3-ethyl-1-methyl-3H-2-benzofuran-1-ol?
The canonical SMILES for (1R,3R)-3-ethyl-1-methyl-3H-2-benzofuran-1-ol is CC[C@H]1O[C@@](C)(O)c2ccccc21.
What is the InChIKey of (1R,3R)-3-ethyl-1-methyl-3H-2-benzofuran-1-ol?
The InChIKey is UDBGTECCGJTPJH-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H14O2/c1-3-10-8-6-4-5-7-9(8)11(2,12)13-10/h4-7,10,12H,3H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of (1R,3R)-3-ethyl-1-methyl-3H-2-benzofuran-1-ol?
(1R,3R)-3-ethyl-1-methyl-3H-2-benzofuran-1-ol has a molecular weight of 178.23 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-3-ethyl-1-methyl-3H-2-benzofuran-1-ol is sourced from PubChem (CID 15741867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).