2-[(E)-3-hydroxy-3-methylbut-1-enyl]benzene-1,4-diol

C11H14O3 — CID 10726467

IUPAC2-[(E)-3-hydroxy-3-methylbut-1-enyl]benzene-1,4-diol
SMILESCC(C)(O)/C=C/c1cc(O)ccc1O
InChIInChI=1S/C11H14O3/c1-11(2,14)6-5-8-7-9(12)3-4-10(8)13/h3-7,12-14H,1-2H3/b6-5+
InChIKeyFPQNIOJCFXSRSC-AATRIKPKSA-N
MW194.23 g/mol
LogP1.88
Rot. Bonds2

About 2-[(E)-3-hydroxy-3-methylbut-1-enyl]benzene-1,4-diol

2-[(E)-3-hydroxy-3-methylbut-1-enyl]benzene-1,4-diol (PubChem CID 10726467) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-[(E)-3-hydroxy-3-methylbut-1-enyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[(E)-3-hydroxy-3-methylbut-1-enyl]benzene-1,4-diol
PubChem CID10726467
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-[(E)-3-hydroxy-3-methylbut-1-enyl]benzene-1,4-diol
SMILESCC(C)(O)/C=C/c1cc(O)ccc1O
InChIInChI=1S/C11H14O3/c1-11(2,14)6-5-8-7-9(12)3-4-10(8)13/h3-7,12-14H,1-2H3/b6-5+
InChIKeyFPQNIOJCFXSRSC-AATRIKPKSA-N
XLogP1.88
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[(E)-3-hydroxy-3-methylbut-1-enyl]benzene-1,4-diol?
The IUPAC name of 2-[(E)-3-hydroxy-3-methylbut-1-enyl]benzene-1,4-diol (CID 10726467) is 2-[(E)-3-hydroxy-3-methylbut-1-enyl]benzene-1,4-diol.
What is the SMILES notation for 2-[(E)-3-hydroxy-3-methylbut-1-enyl]benzene-1,4-diol?
The canonical SMILES for 2-[(E)-3-hydroxy-3-methylbut-1-enyl]benzene-1,4-diol is CC(C)(O)/C=C/c1cc(O)ccc1O.
What is the InChIKey of 2-[(E)-3-hydroxy-3-methylbut-1-enyl]benzene-1,4-diol?
The InChIKey is FPQNIOJCFXSRSC-AATRIKPKSA-N. The full InChI is InChI=1S/C11H14O3/c1-11(2,14)6-5-8-7-9(12)3-4-10(8)13/h3-7,12-14H,1-2H3/b6-5+.
What are the key properties of 2-[(E)-3-hydroxy-3-methylbut-1-enyl]benzene-1,4-diol?
2-[(E)-3-hydroxy-3-methylbut-1-enyl]benzene-1,4-diol has a molecular weight of 194.23 g/mol, XLogP of 1.88, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-hydroxy-3-methylbut-1-enyl]benzene-1,4-diol is sourced from PubChem (CID 10726467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).