5-ethyl-2,3-dimethyl-1-benzofuran-6-ol

C12H14O2 — CID 130033144

IUPAC5-ethyl-2,3-dimethyl-1-benzofuran-6-ol
SMILESCCc1cc2c(C)c(C)oc2cc1O
InChIInChI=1S/C12H14O2/c1-4-9-5-10-7(2)8(3)14-12(10)6-11(9)13/h5-6,13H,4H2,1-3H3
InChIKeyBPRAFQKGJZDACL-UHFFFAOYSA-N
MW190.24 g/mol
LogP3.32
Rot. Bonds1

About 5-ethyl-2,3-dimethyl-1-benzofuran-6-ol

5-ethyl-2,3-dimethyl-1-benzofuran-6-ol (PubChem CID 130033144) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 5-ethyl-2,3-dimethyl-1-benzofuran-6-ol.

Molecular Properties

Compound Name5-ethyl-2,3-dimethyl-1-benzofuran-6-ol
PubChem CID130033144
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name5-ethyl-2,3-dimethyl-1-benzofuran-6-ol
SMILESCCc1cc2c(C)c(C)oc2cc1O
InChIInChI=1S/C12H14O2/c1-4-9-5-10-7(2)8(3)14-12(10)6-11(9)13/h5-6,13H,4H2,1-3H3
InChIKeyBPRAFQKGJZDACL-UHFFFAOYSA-N
XLogP3.32
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,3-dimethyl-1-benzofuran-6-ol?
The IUPAC name of 5-ethyl-2,3-dimethyl-1-benzofuran-6-ol (CID 130033144) is 5-ethyl-2,3-dimethyl-1-benzofuran-6-ol.
What is the SMILES notation for 5-ethyl-2,3-dimethyl-1-benzofuran-6-ol?
The canonical SMILES for 5-ethyl-2,3-dimethyl-1-benzofuran-6-ol is CCc1cc2c(C)c(C)oc2cc1O.
What is the InChIKey of 5-ethyl-2,3-dimethyl-1-benzofuran-6-ol?
The InChIKey is BPRAFQKGJZDACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-4-9-5-10-7(2)8(3)14-12(10)6-11(9)13/h5-6,13H,4H2,1-3H3.
What are the key properties of 5-ethyl-2,3-dimethyl-1-benzofuran-6-ol?
5-ethyl-2,3-dimethyl-1-benzofuran-6-ol has a molecular weight of 190.24 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,3-dimethyl-1-benzofuran-6-ol is sourced from PubChem (CID 130033144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).