2-(5-ethyl-4,5-dihydro-1,2-oxazol-3-yl)benzene-1,4-diol

C11H13NO3 — CID 136652954

IUPAC2-(5-ethyl-4,5-dihydro-1,2-oxazol-3-yl)benzene-1,4-diol
SMILESCCC1CC(c2cc(O)ccc2O)=NO1
InChIInChI=1S/C11H13NO3/c1-2-8-6-10(12-15-8)9-5-7(13)3-4-11(9)14/h3-5,8,13-14H,2,6H2,1H3
InChIKeyXLZZJPPQQHCEFC-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.00
Rot. Bonds2

About 2-(5-ethyl-4,5-dihydro-1,2-oxazol-3-yl)benzene-1,4-diol

2-(5-ethyl-4,5-dihydro-1,2-oxazol-3-yl)benzene-1,4-diol (PubChem CID 136652954) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-(5-ethyl-4,5-dihydro-1,2-oxazol-3-yl)benzene-1,4-diol.

Molecular Properties

Compound Name2-(5-ethyl-4,5-dihydro-1,2-oxazol-3-yl)benzene-1,4-diol
PubChem CID136652954
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-(5-ethyl-4,5-dihydro-1,2-oxazol-3-yl)benzene-1,4-diol
SMILESCCC1CC(c2cc(O)ccc2O)=NO1
InChIInChI=1S/C11H13NO3/c1-2-8-6-10(12-15-8)9-5-7(13)3-4-11(9)14/h3-5,8,13-14H,2,6H2,1H3
InChIKeyXLZZJPPQQHCEFC-UHFFFAOYSA-N
XLogP2.00
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-4,5-dihydro-1,2-oxazol-3-yl)benzene-1,4-diol?
The IUPAC name of 2-(5-ethyl-4,5-dihydro-1,2-oxazol-3-yl)benzene-1,4-diol (CID 136652954) is 2-(5-ethyl-4,5-dihydro-1,2-oxazol-3-yl)benzene-1,4-diol.
What is the SMILES notation for 2-(5-ethyl-4,5-dihydro-1,2-oxazol-3-yl)benzene-1,4-diol?
The canonical SMILES for 2-(5-ethyl-4,5-dihydro-1,2-oxazol-3-yl)benzene-1,4-diol is CCC1CC(c2cc(O)ccc2O)=NO1.
What is the InChIKey of 2-(5-ethyl-4,5-dihydro-1,2-oxazol-3-yl)benzene-1,4-diol?
The InChIKey is XLZZJPPQQHCEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-2-8-6-10(12-15-8)9-5-7(13)3-4-11(9)14/h3-5,8,13-14H,2,6H2,1H3.
What are the key properties of 2-(5-ethyl-4,5-dihydro-1,2-oxazol-3-yl)benzene-1,4-diol?
2-(5-ethyl-4,5-dihydro-1,2-oxazol-3-yl)benzene-1,4-diol has a molecular weight of 207.23 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-4,5-dihydro-1,2-oxazol-3-yl)benzene-1,4-diol is sourced from PubChem (CID 136652954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).