5-ethyl-2,3-dimethylbenzene-1,4-diol

C10H14O2 — CID 86605484

IUPAC5-ethyl-2,3-dimethylbenzene-1,4-diol
SMILESCCc1cc(O)c(C)c(C)c1O
InChIInChI=1S/C10H14O2/c1-4-8-5-9(11)6(2)7(3)10(8)12/h5,11-12H,4H2,1-3H3
InChIKeyCUOJNGVYDMFYQQ-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.28
Rot. Bonds1

About 5-ethyl-2,3-dimethylbenzene-1,4-diol

5-ethyl-2,3-dimethylbenzene-1,4-diol (PubChem CID 86605484) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 5-ethyl-2,3-dimethylbenzene-1,4-diol.

Molecular Properties

Compound Name5-ethyl-2,3-dimethylbenzene-1,4-diol
PubChem CID86605484
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name5-ethyl-2,3-dimethylbenzene-1,4-diol
SMILESCCc1cc(O)c(C)c(C)c1O
InChIInChI=1S/C10H14O2/c1-4-8-5-9(11)6(2)7(3)10(8)12/h5,11-12H,4H2,1-3H3
InChIKeyCUOJNGVYDMFYQQ-UHFFFAOYSA-N
XLogP2.28
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,3-dimethylbenzene-1,4-diol?
The IUPAC name of 5-ethyl-2,3-dimethylbenzene-1,4-diol (CID 86605484) is 5-ethyl-2,3-dimethylbenzene-1,4-diol.
What is the SMILES notation for 5-ethyl-2,3-dimethylbenzene-1,4-diol?
The canonical SMILES for 5-ethyl-2,3-dimethylbenzene-1,4-diol is CCc1cc(O)c(C)c(C)c1O.
What is the InChIKey of 5-ethyl-2,3-dimethylbenzene-1,4-diol?
The InChIKey is CUOJNGVYDMFYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-4-8-5-9(11)6(2)7(3)10(8)12/h5,11-12H,4H2,1-3H3.
What are the key properties of 5-ethyl-2,3-dimethylbenzene-1,4-diol?
5-ethyl-2,3-dimethylbenzene-1,4-diol has a molecular weight of 166.22 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,3-dimethylbenzene-1,4-diol is sourced from PubChem (CID 86605484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).