4-phenylcyclopent-3-ene-1,2-diol

C11H12O2 — CID 85106712

IUPAC4-phenylcyclopent-3-ene-1,2-diol
SMILESOC1C=C(c2ccccc2)CC1O
InChIInChI=1S/C11H12O2/c12-10-6-9(7-11(10)13)8-4-2-1-3-5-8/h1-6,10-13H,7H2
InChIKeyZWXXJDKNSCVZTH-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.20
Rot. Bonds1

About 4-phenylcyclopent-3-ene-1,2-diol

4-phenylcyclopent-3-ene-1,2-diol (PubChem CID 85106712) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 4-phenylcyclopent-3-ene-1,2-diol.

Molecular Properties

Compound Name4-phenylcyclopent-3-ene-1,2-diol
PubChem CID85106712
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name4-phenylcyclopent-3-ene-1,2-diol
SMILESOC1C=C(c2ccccc2)CC1O
InChIInChI=1S/C11H12O2/c12-10-6-9(7-11(10)13)8-4-2-1-3-5-8/h1-6,10-13H,7H2
InChIKeyZWXXJDKNSCVZTH-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenylcyclopent-3-ene-1,2-diol?
The IUPAC name of 4-phenylcyclopent-3-ene-1,2-diol (CID 85106712) is 4-phenylcyclopent-3-ene-1,2-diol.
What is the SMILES notation for 4-phenylcyclopent-3-ene-1,2-diol?
The canonical SMILES for 4-phenylcyclopent-3-ene-1,2-diol is OC1C=C(c2ccccc2)CC1O.
What is the InChIKey of 4-phenylcyclopent-3-ene-1,2-diol?
The InChIKey is ZWXXJDKNSCVZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c12-10-6-9(7-11(10)13)8-4-2-1-3-5-8/h1-6,10-13H,7H2.
What are the key properties of 4-phenylcyclopent-3-ene-1,2-diol?
4-phenylcyclopent-3-ene-1,2-diol has a molecular weight of 176.22 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylcyclopent-3-ene-1,2-diol is sourced from PubChem (CID 85106712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).