4-ethyl-2,2-dimethyl-1,3-dihydroquinoxalin-6-ol

C12H18N2O — CID 115095246

IUPAC4-ethyl-2,2-dimethyl-1,3-dihydroquinoxalin-6-ol
SMILESCCN1CC(C)(C)Nc2ccc(O)cc21
InChIInChI=1S/C12H18N2O/c1-4-14-8-12(2,3)13-10-6-5-9(15)7-11(10)14/h5-7,13,15H,4,8H2,1-3H3
InChIKeyCMBWXDLQHQAFIL-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.42
Rot. Bonds1

About 4-ethyl-2,2-dimethyl-1,3-dihydroquinoxalin-6-ol

4-ethyl-2,2-dimethyl-1,3-dihydroquinoxalin-6-ol (PubChem CID 115095246) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-ethyl-2,2-dimethyl-1,3-dihydroquinoxalin-6-ol.

Molecular Properties

Compound Name4-ethyl-2,2-dimethyl-1,3-dihydroquinoxalin-6-ol
PubChem CID115095246
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name4-ethyl-2,2-dimethyl-1,3-dihydroquinoxalin-6-ol
SMILESCCN1CC(C)(C)Nc2ccc(O)cc21
InChIInChI=1S/C12H18N2O/c1-4-14-8-12(2,3)13-10-6-5-9(15)7-11(10)14/h5-7,13,15H,4,8H2,1-3H3
InChIKeyCMBWXDLQHQAFIL-UHFFFAOYSA-N
XLogP2.42
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,2-dimethyl-1,3-dihydroquinoxalin-6-ol?
The IUPAC name of 4-ethyl-2,2-dimethyl-1,3-dihydroquinoxalin-6-ol (CID 115095246) is 4-ethyl-2,2-dimethyl-1,3-dihydroquinoxalin-6-ol.
What is the SMILES notation for 4-ethyl-2,2-dimethyl-1,3-dihydroquinoxalin-6-ol?
The canonical SMILES for 4-ethyl-2,2-dimethyl-1,3-dihydroquinoxalin-6-ol is CCN1CC(C)(C)Nc2ccc(O)cc21.
What is the InChIKey of 4-ethyl-2,2-dimethyl-1,3-dihydroquinoxalin-6-ol?
The InChIKey is CMBWXDLQHQAFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-4-14-8-12(2,3)13-10-6-5-9(15)7-11(10)14/h5-7,13,15H,4,8H2,1-3H3.
What are the key properties of 4-ethyl-2,2-dimethyl-1,3-dihydroquinoxalin-6-ol?
4-ethyl-2,2-dimethyl-1,3-dihydroquinoxalin-6-ol has a molecular weight of 206.29 g/mol, XLogP of 2.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,2-dimethyl-1,3-dihydroquinoxalin-6-ol is sourced from PubChem (CID 115095246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).