2-cyclopentyl-5-[(E)-2-(3-fluorophenyl)ethenyl]benzene-1,3-diol

C19H19FO2 — CID 170351043

IUPAC2-cyclopentyl-5-[(E)-2-(3-fluorophenyl)ethenyl]benzene-1,3-diol
SMILESOc1cc(/C=C/c2cccc(F)c2)cc(O)c1C1CCCC1
InChIInChI=1S/C19H19FO2/c20-16-7-3-4-13(10-16)8-9-14-11-17(21)19(18(22)12-14)15-5-1-2-6-15/h3-4,7-12,15,21-22H,1-2,5-6H2/b9-8+
InChIKeyMRAZTKFBMBMGCH-CMDGGOBGSA-N
MW298.36 g/mol
LogP5.06
Rot. Bonds3

About 2-cyclopentyl-5-[(E)-2-(3-fluorophenyl)ethenyl]benzene-1,3-diol

2-cyclopentyl-5-[(E)-2-(3-fluorophenyl)ethenyl]benzene-1,3-diol (PubChem CID 170351043) has the molecular formula C19H19FO2 and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-cyclopentyl-5-[(E)-2-(3-fluorophenyl)ethenyl]benzene-1,3-diol.

Molecular Properties

Compound Name2-cyclopentyl-5-[(E)-2-(3-fluorophenyl)ethenyl]benzene-1,3-diol
PubChem CID170351043
Molecular FormulaC19H19FO2
Molecular Weight298.36 g/mol
Exact Mass298.14
IUPAC Name2-cyclopentyl-5-[(E)-2-(3-fluorophenyl)ethenyl]benzene-1,3-diol
SMILESOc1cc(/C=C/c2cccc(F)c2)cc(O)c1C1CCCC1
InChIInChI=1S/C19H19FO2/c20-16-7-3-4-13(10-16)8-9-14-11-17(21)19(18(22)12-14)15-5-1-2-6-15/h3-4,7-12,15,21-22H,1-2,5-6H2/b9-8+
InChIKeyMRAZTKFBMBMGCH-CMDGGOBGSA-N
XLogP5.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.36
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-[(E)-2-(3-fluorophenyl)ethenyl]benzene-1,3-diol?
The IUPAC name of 2-cyclopentyl-5-[(E)-2-(3-fluorophenyl)ethenyl]benzene-1,3-diol (CID 170351043) is 2-cyclopentyl-5-[(E)-2-(3-fluorophenyl)ethenyl]benzene-1,3-diol.
What is the SMILES notation for 2-cyclopentyl-5-[(E)-2-(3-fluorophenyl)ethenyl]benzene-1,3-diol?
The canonical SMILES for 2-cyclopentyl-5-[(E)-2-(3-fluorophenyl)ethenyl]benzene-1,3-diol is Oc1cc(/C=C/c2cccc(F)c2)cc(O)c1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-5-[(E)-2-(3-fluorophenyl)ethenyl]benzene-1,3-diol?
The InChIKey is MRAZTKFBMBMGCH-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H19FO2/c20-16-7-3-4-13(10-16)8-9-14-11-17(21)19(18(22)12-14)15-5-1-2-6-15/h3-4,7-12,15,21-22H,1-2,5-6H2/b9-8+.
What are the key properties of 2-cyclopentyl-5-[(E)-2-(3-fluorophenyl)ethenyl]benzene-1,3-diol?
2-cyclopentyl-5-[(E)-2-(3-fluorophenyl)ethenyl]benzene-1,3-diol has a molecular weight of 298.36 g/mol, XLogP of 5.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-[(E)-2-(3-fluorophenyl)ethenyl]benzene-1,3-diol is sourced from PubChem (CID 170351043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).