2-(2-methylprop-2-enyl)benzene-1,4-diol

C10H12O2 — CID 19744956

IUPAC2-(2-methylprop-2-enyl)benzene-1,4-diol
SMILESC=C(C)Cc1cc(O)ccc1O
InChIInChI=1S/C10H12O2/c1-7(2)5-8-6-9(11)3-4-10(8)12/h3-4,6,11-12H,1,5H2,2H3
InChIKeyIMEYAEXXHHSQGB-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.22
Rot. Bonds2

About 2-(2-methylprop-2-enyl)benzene-1,4-diol

2-(2-methylprop-2-enyl)benzene-1,4-diol (PubChem CID 19744956) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2-(2-methylprop-2-enyl)benzene-1,4-diol.

Molecular Properties

Compound Name2-(2-methylprop-2-enyl)benzene-1,4-diol
PubChem CID19744956
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name2-(2-methylprop-2-enyl)benzene-1,4-diol
SMILESC=C(C)Cc1cc(O)ccc1O
InChIInChI=1S/C10H12O2/c1-7(2)5-8-6-9(11)3-4-10(8)12/h3-4,6,11-12H,1,5H2,2H3
InChIKeyIMEYAEXXHHSQGB-UHFFFAOYSA-N
XLogP2.22
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enyl)benzene-1,4-diol?
The IUPAC name of 2-(2-methylprop-2-enyl)benzene-1,4-diol (CID 19744956) is 2-(2-methylprop-2-enyl)benzene-1,4-diol.
What is the SMILES notation for 2-(2-methylprop-2-enyl)benzene-1,4-diol?
The canonical SMILES for 2-(2-methylprop-2-enyl)benzene-1,4-diol is C=C(C)Cc1cc(O)ccc1O.
What is the InChIKey of 2-(2-methylprop-2-enyl)benzene-1,4-diol?
The InChIKey is IMEYAEXXHHSQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-7(2)5-8-6-9(11)3-4-10(8)12/h3-4,6,11-12H,1,5H2,2H3.
What are the key properties of 2-(2-methylprop-2-enyl)benzene-1,4-diol?
2-(2-methylprop-2-enyl)benzene-1,4-diol has a molecular weight of 164.20 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enyl)benzene-1,4-diol is sourced from PubChem (CID 19744956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).