2-cyclopent-2-en-1-ylbenzene-1,3-diol

C11H12O2 — CID 130032565

IUPAC2-cyclopent-2-en-1-ylbenzene-1,3-diol
SMILESOc1cccc(O)c1C1C=CCC1
InChIInChI=1S/C11H12O2/c12-9-6-3-7-10(13)11(9)8-4-1-2-5-8/h1,3-4,6-8,12-13H,2,5H2
InChIKeyMOJQCTZKKCEQTF-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.53
Rot. Bonds1

About 2-cyclopent-2-en-1-ylbenzene-1,3-diol

2-cyclopent-2-en-1-ylbenzene-1,3-diol (PubChem CID 130032565) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-ylbenzene-1,3-diol.

Molecular Properties

Compound Name2-cyclopent-2-en-1-ylbenzene-1,3-diol
PubChem CID130032565
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name2-cyclopent-2-en-1-ylbenzene-1,3-diol
SMILESOc1cccc(O)c1C1C=CCC1
InChIInChI=1S/C11H12O2/c12-9-6-3-7-10(13)11(9)8-4-1-2-5-8/h1,3-4,6-8,12-13H,2,5H2
InChIKeyMOJQCTZKKCEQTF-UHFFFAOYSA-N
XLogP2.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-ylbenzene-1,3-diol?
The IUPAC name of 2-cyclopent-2-en-1-ylbenzene-1,3-diol (CID 130032565) is 2-cyclopent-2-en-1-ylbenzene-1,3-diol.
What is the SMILES notation for 2-cyclopent-2-en-1-ylbenzene-1,3-diol?
The canonical SMILES for 2-cyclopent-2-en-1-ylbenzene-1,3-diol is Oc1cccc(O)c1C1C=CCC1.
What is the InChIKey of 2-cyclopent-2-en-1-ylbenzene-1,3-diol?
The InChIKey is MOJQCTZKKCEQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c12-9-6-3-7-10(13)11(9)8-4-1-2-5-8/h1,3-4,6-8,12-13H,2,5H2.
What are the key properties of 2-cyclopent-2-en-1-ylbenzene-1,3-diol?
2-cyclopent-2-en-1-ylbenzene-1,3-diol has a molecular weight of 176.22 g/mol, XLogP of 2.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-ylbenzene-1,3-diol is sourced from PubChem (CID 130032565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).