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

C20H21FO2 — CID 170350956

IUPAC2-cyclohexyl-5-[(E)-2-(3-fluorophenyl)ethenyl]benzene-1,3-diol
SMILESOc1cc(/C=C/c2cccc(F)c2)cc(O)c1C1CCCCC1
InChIInChI=1S/C20H21FO2/c21-17-8-4-5-14(11-17)9-10-15-12-18(22)20(19(23)13-15)16-6-2-1-3-7-16/h4-5,8-13,16,22-23H,1-3,6-7H2/b10-9+
InChIKeyJWSKDRLJVZCGLE-MDZDMXLPSA-N
MW312.38 g/mol
LogP5.45
Rot. Bonds3

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

2-cyclohexyl-5-[(E)-2-(3-fluorophenyl)ethenyl]benzene-1,3-diol (PubChem CID 170350956) has the molecular formula C20H21FO2 and a molecular weight of 312.38 g/mol. Its IUPAC name is 2-cyclohexyl-5-[(E)-2-(3-fluorophenyl)ethenyl]benzene-1,3-diol.

Molecular Properties

Compound Name2-cyclohexyl-5-[(E)-2-(3-fluorophenyl)ethenyl]benzene-1,3-diol
PubChem CID170350956
Molecular FormulaC20H21FO2
Molecular Weight312.38 g/mol
Exact Mass312.15
IUPAC Name2-cyclohexyl-5-[(E)-2-(3-fluorophenyl)ethenyl]benzene-1,3-diol
SMILESOc1cc(/C=C/c2cccc(F)c2)cc(O)c1C1CCCCC1
InChIInChI=1S/C20H21FO2/c21-17-8-4-5-14(11-17)9-10-15-12-18(22)20(19(23)13-15)16-6-2-1-3-7-16/h4-5,8-13,16,22-23H,1-3,6-7H2/b10-9+
InChIKeyJWSKDRLJVZCGLE-MDZDMXLPSA-N
XLogP5.45
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.38
LogP ≤ 55.45
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-cyclohexyl-5-[(E)-2-(3-fluorophenyl)ethenyl]benzene-1,3-diol?
The IUPAC name of 2-cyclohexyl-5-[(E)-2-(3-fluorophenyl)ethenyl]benzene-1,3-diol (CID 170350956) is 2-cyclohexyl-5-[(E)-2-(3-fluorophenyl)ethenyl]benzene-1,3-diol.
What is the SMILES notation for 2-cyclohexyl-5-[(E)-2-(3-fluorophenyl)ethenyl]benzene-1,3-diol?
The canonical SMILES for 2-cyclohexyl-5-[(E)-2-(3-fluorophenyl)ethenyl]benzene-1,3-diol is Oc1cc(/C=C/c2cccc(F)c2)cc(O)c1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-5-[(E)-2-(3-fluorophenyl)ethenyl]benzene-1,3-diol?
The InChIKey is JWSKDRLJVZCGLE-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H21FO2/c21-17-8-4-5-14(11-17)9-10-15-12-18(22)20(19(23)13-15)16-6-2-1-3-7-16/h4-5,8-13,16,22-23H,1-3,6-7H2/b10-9+.
What are the key properties of 2-cyclohexyl-5-[(E)-2-(3-fluorophenyl)ethenyl]benzene-1,3-diol?
2-cyclohexyl-5-[(E)-2-(3-fluorophenyl)ethenyl]benzene-1,3-diol has a molecular weight of 312.38 g/mol, XLogP of 5.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-[(E)-2-(3-fluorophenyl)ethenyl]benzene-1,3-diol is sourced from PubChem (CID 170350956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).