ethane;2-propan-2-ylbenzene-1,4-diol

C11H18O2 — CID 142526046

IUPACethane;2-propan-2-ylbenzene-1,4-diol
SMILESCC.CC(C)c1cc(O)ccc1O
InChIInChI=1S/C9H12O2.C2H6/c1-6(2)8-5-7(10)3-4-9(8)11;1-2/h3-6,10-11H,1-2H3;1-2H3
InChIKeyZORNSBVBNYNOLE-UHFFFAOYSA-N
MW182.26 g/mol
LogP3.25
Rot. Bonds1

About ethane;2-propan-2-ylbenzene-1,4-diol

ethane;2-propan-2-ylbenzene-1,4-diol (PubChem CID 142526046) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is ethane;2-propan-2-ylbenzene-1,4-diol.

Molecular Properties

Compound Nameethane;2-propan-2-ylbenzene-1,4-diol
PubChem CID142526046
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Nameethane;2-propan-2-ylbenzene-1,4-diol
SMILESCC.CC(C)c1cc(O)ccc1O
InChIInChI=1S/C9H12O2.C2H6/c1-6(2)8-5-7(10)3-4-9(8)11;1-2/h3-6,10-11H,1-2H3;1-2H3
InChIKeyZORNSBVBNYNOLE-UHFFFAOYSA-N
XLogP3.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 53.25
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 ethane;2-propan-2-ylbenzene-1,4-diol?
The IUPAC name of ethane;2-propan-2-ylbenzene-1,4-diol (CID 142526046) is ethane;2-propan-2-ylbenzene-1,4-diol.
What is the SMILES notation for ethane;2-propan-2-ylbenzene-1,4-diol?
The canonical SMILES for ethane;2-propan-2-ylbenzene-1,4-diol is CC.CC(C)c1cc(O)ccc1O.
What is the InChIKey of ethane;2-propan-2-ylbenzene-1,4-diol?
The InChIKey is ZORNSBVBNYNOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2.C2H6/c1-6(2)8-5-7(10)3-4-9(8)11;1-2/h3-6,10-11H,1-2H3;1-2H3.
What are the key properties of ethane;2-propan-2-ylbenzene-1,4-diol?
ethane;2-propan-2-ylbenzene-1,4-diol has a molecular weight of 182.26 g/mol, XLogP of 3.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-propan-2-ylbenzene-1,4-diol is sourced from PubChem (CID 142526046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).