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

C12H16O2 — CID 20526777

IUPAC5-ethyl-3,3-dimethyl-2H-1-benzofuran-2-ol
SMILESCCc1ccc2c(c1)C(C)(C)C(O)O2
InChIInChI=1S/C12H16O2/c1-4-8-5-6-10-9(7-8)12(2,3)11(13)14-10/h5-7,11,13H,4H2,1-3H3
InChIKeyAORDGWHBZZOKHN-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.24
Rot. Bonds1

About 5-ethyl-3,3-dimethyl-2H-1-benzofuran-2-ol

5-ethyl-3,3-dimethyl-2H-1-benzofuran-2-ol (PubChem CID 20526777) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 5-ethyl-3,3-dimethyl-2H-1-benzofuran-2-ol.

Molecular Properties

Compound Name5-ethyl-3,3-dimethyl-2H-1-benzofuran-2-ol
PubChem CID20526777
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name5-ethyl-3,3-dimethyl-2H-1-benzofuran-2-ol
SMILESCCc1ccc2c(c1)C(C)(C)C(O)O2
InChIInChI=1S/C12H16O2/c1-4-8-5-6-10-9(7-8)12(2,3)11(13)14-10/h5-7,11,13H,4H2,1-3H3
InChIKeyAORDGWHBZZOKHN-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3,3-dimethyl-2H-1-benzofuran-2-ol?
The IUPAC name of 5-ethyl-3,3-dimethyl-2H-1-benzofuran-2-ol (CID 20526777) is 5-ethyl-3,3-dimethyl-2H-1-benzofuran-2-ol.
What is the SMILES notation for 5-ethyl-3,3-dimethyl-2H-1-benzofuran-2-ol?
The canonical SMILES for 5-ethyl-3,3-dimethyl-2H-1-benzofuran-2-ol is CCc1ccc2c(c1)C(C)(C)C(O)O2.
What is the InChIKey of 5-ethyl-3,3-dimethyl-2H-1-benzofuran-2-ol?
The InChIKey is AORDGWHBZZOKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-4-8-5-6-10-9(7-8)12(2,3)11(13)14-10/h5-7,11,13H,4H2,1-3H3.
What are the key properties of 5-ethyl-3,3-dimethyl-2H-1-benzofuran-2-ol?
5-ethyl-3,3-dimethyl-2H-1-benzofuran-2-ol has a molecular weight of 192.26 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3,3-dimethyl-2H-1-benzofuran-2-ol is sourced from PubChem (CID 20526777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).