2-cyclohexyl-5-[2-(3,4-difluorophenyl)ethenyl]benzene-1,3-diol

C20H20F2O2 — CID 170351252

IUPAC2-cyclohexyl-5-[2-(3,4-difluorophenyl)ethenyl]benzene-1,3-diol
SMILESOc1cc(C=Cc2ccc(F)c(F)c2)cc(O)c1C1CCCCC1
InChIInChI=1S/C20H20F2O2/c21-16-9-8-13(10-17(16)22)6-7-14-11-18(23)20(19(24)12-14)15-4-2-1-3-5-15/h6-12,15,23-24H,1-5H2
InChIKeyLYXYCUHXQNGSCT-UHFFFAOYSA-N
MW330.37 g/mol
LogP5.59
Rot. Bonds3

About 2-cyclohexyl-5-[2-(3,4-difluorophenyl)ethenyl]benzene-1,3-diol

2-cyclohexyl-5-[2-(3,4-difluorophenyl)ethenyl]benzene-1,3-diol (PubChem CID 170351252) has the molecular formula C20H20F2O2 and a molecular weight of 330.37 g/mol. Its IUPAC name is 2-cyclohexyl-5-[2-(3,4-difluorophenyl)ethenyl]benzene-1,3-diol.

Molecular Properties

Compound Name2-cyclohexyl-5-[2-(3,4-difluorophenyl)ethenyl]benzene-1,3-diol
PubChem CID170351252
Molecular FormulaC20H20F2O2
Molecular Weight330.37 g/mol
Exact Mass330.14
IUPAC Name2-cyclohexyl-5-[2-(3,4-difluorophenyl)ethenyl]benzene-1,3-diol
SMILESOc1cc(C=Cc2ccc(F)c(F)c2)cc(O)c1C1CCCCC1
InChIInChI=1S/C20H20F2O2/c21-16-9-8-13(10-17(16)22)6-7-14-11-18(23)20(19(24)12-14)15-4-2-1-3-5-15/h6-12,15,23-24H,1-5H2
InChIKeyLYXYCUHXQNGSCT-UHFFFAOYSA-N
XLogP5.59
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.37
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyl-5-[(E)-2-(3-fluorophenyl)ethenyl]benzene-1,3-diol
CID 170350956
2-cyclopentyl-5-[(E)-2-(3-fluorophenyl)ethenyl]benzene-1,3-diol
CID 170351043
2-[(E)-2-(3,4-difluorophenyl)ethenyl]phenol
CID 11287698
4-(2,2-dicyclohexylethenyl)-1,2-difluorobenzene
CID 174900948
2-cyclopentyl-3-fluorophenol
CID 117104118
2-cyclopropyl-5-[(E)-2-(4-fluorophenyl)ethenyl]phenol
CID 130316154
(E)-2-(3,4-difluorophenyl)ethenesulfonamide
CID 43532206
4-cyclododecyl-2-fluorophenol
CID 146306960
5-[(Z)-2-(3,4-dihydroxyphenyl)ethenyl]benzene-1,2,3-triol
CID 143585008
4-cyclohexyl-5-fluorobenzene-1,2-diol
CID 90391034
N-[(Z)-(3,4-difluorophenyl)methylideneamino]cyclohexanecarboxamide
CID 9465740
(S)-cyclohexyl-(3,4-difluorophenyl)methanol
CID 93184621

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-[2-(3,4-difluorophenyl)ethenyl]benzene-1,3-diol?
The IUPAC name of 2-cyclohexyl-5-[2-(3,4-difluorophenyl)ethenyl]benzene-1,3-diol (CID 170351252) is 2-cyclohexyl-5-[2-(3,4-difluorophenyl)ethenyl]benzene-1,3-diol.
What is the SMILES notation for 2-cyclohexyl-5-[2-(3,4-difluorophenyl)ethenyl]benzene-1,3-diol?
The canonical SMILES for 2-cyclohexyl-5-[2-(3,4-difluorophenyl)ethenyl]benzene-1,3-diol is Oc1cc(C=Cc2ccc(F)c(F)c2)cc(O)c1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-5-[2-(3,4-difluorophenyl)ethenyl]benzene-1,3-diol?
The InChIKey is LYXYCUHXQNGSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2O2/c21-16-9-8-13(10-17(16)22)6-7-14-11-18(23)20(19(24)12-14)15-4-2-1-3-5-15/h6-12,15,23-24H,1-5H2.
What are the key properties of 2-cyclohexyl-5-[2-(3,4-difluorophenyl)ethenyl]benzene-1,3-diol?
2-cyclohexyl-5-[2-(3,4-difluorophenyl)ethenyl]benzene-1,3-diol has a molecular weight of 330.37 g/mol, XLogP of 5.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-[2-(3,4-difluorophenyl)ethenyl]benzene-1,3-diol is sourced from PubChem (CID 170351252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).