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

C11H14O2 — CID 15741866

IUPAC(2S,3R)-2-ethyl-3-methyl-2H-1-benzofuran-3-ol
SMILESCC[C@@H]1Oc2ccccc2[C@@]1(C)O
InChIInChI=1S/C11H14O2/c1-3-10-11(2,12)8-6-4-5-7-9(8)13-10/h4-7,10,12H,3H2,1-2H3/t10-,11+/m0/s1
InChIKeyMXTZJQNFARCQJP-WDEREUQCSA-N
MW178.23 g/mol
LogP2.07
Rot. Bonds1

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

(2S,3R)-2-ethyl-3-methyl-2H-1-benzofuran-3-ol (PubChem CID 15741866) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (2S,3R)-2-ethyl-3-methyl-2H-1-benzofuran-3-ol.

Molecular Properties

Compound Name(2S,3R)-2-ethyl-3-methyl-2H-1-benzofuran-3-ol
PubChem CID15741866
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(2S,3R)-2-ethyl-3-methyl-2H-1-benzofuran-3-ol
SMILESCC[C@@H]1Oc2ccccc2[C@@]1(C)O
InChIInChI=1S/C11H14O2/c1-3-10-11(2,12)8-6-4-5-7-9(8)13-10/h4-7,10,12H,3H2,1-2H3/t10-,11+/m0/s1
InChIKeyMXTZJQNFARCQJP-WDEREUQCSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-ethyl-3-methyl-2H-1-benzofuran-3-ol?
The IUPAC name of (2S,3R)-2-ethyl-3-methyl-2H-1-benzofuran-3-ol (CID 15741866) is (2S,3R)-2-ethyl-3-methyl-2H-1-benzofuran-3-ol.
What is the SMILES notation for (2S,3R)-2-ethyl-3-methyl-2H-1-benzofuran-3-ol?
The canonical SMILES for (2S,3R)-2-ethyl-3-methyl-2H-1-benzofuran-3-ol is CC[C@@H]1Oc2ccccc2[C@@]1(C)O.
What is the InChIKey of (2S,3R)-2-ethyl-3-methyl-2H-1-benzofuran-3-ol?
The InChIKey is MXTZJQNFARCQJP-WDEREUQCSA-N. The full InChI is InChI=1S/C11H14O2/c1-3-10-11(2,12)8-6-4-5-7-9(8)13-10/h4-7,10,12H,3H2,1-2H3/t10-,11+/m0/s1.
What are the key properties of (2S,3R)-2-ethyl-3-methyl-2H-1-benzofuran-3-ol?
(2S,3R)-2-ethyl-3-methyl-2H-1-benzofuran-3-ol has a molecular weight of 178.23 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-ethyl-3-methyl-2H-1-benzofuran-3-ol is sourced from PubChem (CID 15741866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).