3-ethyl-1,3-dimethyl-2-benzofuran-1-ol

C12H16O2 — CID 14862605

IUPAC3-ethyl-1,3-dimethyl-2-benzofuran-1-ol
SMILESCCC1(C)OC(C)(O)c2ccccc21
InChIInChI=1S/C12H16O2/c1-4-11(2)9-7-5-6-8-10(9)12(3,13)14-11/h5-8,13H,4H2,1-3H3
InChIKeyWIAPCVNGHBUFES-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.51
Rot. Bonds1

About 3-ethyl-1,3-dimethyl-2-benzofuran-1-ol

3-ethyl-1,3-dimethyl-2-benzofuran-1-ol (PubChem CID 14862605) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-ethyl-1,3-dimethyl-2-benzofuran-1-ol.

Molecular Properties

Compound Name3-ethyl-1,3-dimethyl-2-benzofuran-1-ol
PubChem CID14862605
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name3-ethyl-1,3-dimethyl-2-benzofuran-1-ol
SMILESCCC1(C)OC(C)(O)c2ccccc21
InChIInChI=1S/C12H16O2/c1-4-11(2)9-7-5-6-8-10(9)12(3,13)14-11/h5-8,13H,4H2,1-3H3
InChIKeyWIAPCVNGHBUFES-UHFFFAOYSA-N
XLogP2.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,3-dimethyl-2-benzofuran-1-ol?
The IUPAC name of 3-ethyl-1,3-dimethyl-2-benzofuran-1-ol (CID 14862605) is 3-ethyl-1,3-dimethyl-2-benzofuran-1-ol.
What is the SMILES notation for 3-ethyl-1,3-dimethyl-2-benzofuran-1-ol?
The canonical SMILES for 3-ethyl-1,3-dimethyl-2-benzofuran-1-ol is CCC1(C)OC(C)(O)c2ccccc21.
What is the InChIKey of 3-ethyl-1,3-dimethyl-2-benzofuran-1-ol?
The InChIKey is WIAPCVNGHBUFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-4-11(2)9-7-5-6-8-10(9)12(3,13)14-11/h5-8,13H,4H2,1-3H3.
What are the key properties of 3-ethyl-1,3-dimethyl-2-benzofuran-1-ol?
3-ethyl-1,3-dimethyl-2-benzofuran-1-ol has a molecular weight of 192.26 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,3-dimethyl-2-benzofuran-1-ol is sourced from PubChem (CID 14862605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).