2-ethyl-6-methylbenzene-1,4-diol

C9H12O2 — CID 11686935

IUPAC2-ethyl-6-methylbenzene-1,4-diol
SMILESCCc1cc(O)cc(C)c1O
InChIInChI=1S/C9H12O2/c1-3-7-5-8(10)4-6(2)9(7)11/h4-5,10-11H,3H2,1-2H3
InChIKeyJRKXPKXHZJQQAJ-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.97
Rot. Bonds1

About 2-ethyl-6-methylbenzene-1,4-diol

2-ethyl-6-methylbenzene-1,4-diol (PubChem CID 11686935) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 2-ethyl-6-methylbenzene-1,4-diol.

Molecular Properties

Compound Name2-ethyl-6-methylbenzene-1,4-diol
PubChem CID11686935
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name2-ethyl-6-methylbenzene-1,4-diol
SMILESCCc1cc(O)cc(C)c1O
InChIInChI=1S/C9H12O2/c1-3-7-5-8(10)4-6(2)9(7)11/h4-5,10-11H,3H2,1-2H3
InChIKeyJRKXPKXHZJQQAJ-UHFFFAOYSA-N
XLogP1.97
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.97
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 2-ethyl-6-methylbenzene-1,4-diol?
The IUPAC name of 2-ethyl-6-methylbenzene-1,4-diol (CID 11686935) is 2-ethyl-6-methylbenzene-1,4-diol.
What is the SMILES notation for 2-ethyl-6-methylbenzene-1,4-diol?
The canonical SMILES for 2-ethyl-6-methylbenzene-1,4-diol is CCc1cc(O)cc(C)c1O.
What is the InChIKey of 2-ethyl-6-methylbenzene-1,4-diol?
The InChIKey is JRKXPKXHZJQQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-3-7-5-8(10)4-6(2)9(7)11/h4-5,10-11H,3H2,1-2H3.
What are the key properties of 2-ethyl-6-methylbenzene-1,4-diol?
2-ethyl-6-methylbenzene-1,4-diol has a molecular weight of 152.19 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methylbenzene-1,4-diol is sourced from PubChem (CID 11686935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).