2-fluoro-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenol

C22H17FO — CID 59770522

IUPAC2-fluoro-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenol
SMILESOc1cc(C=C2c3ccccc3CCc3ccccc32)ccc1F
InChIInChI=1S/C22H17FO/c23-21-12-9-15(14-22(21)24)13-20-18-7-3-1-5-16(18)10-11-17-6-2-4-8-19(17)20/h1-9,12-14,24H,10-11H2
InChIKeyJICZSKCMIUZYME-UHFFFAOYSA-N
MW316.38 g/mol
LogP5.22
Rot. Bonds1

About 2-fluoro-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenol

2-fluoro-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenol (PubChem CID 59770522) has the molecular formula C22H17FO and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-fluoro-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenol.

Molecular Properties

Compound Name2-fluoro-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenol
PubChem CID59770522
Molecular FormulaC22H17FO
Molecular Weight316.38 g/mol
Exact Mass316.13
IUPAC Name2-fluoro-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenol
SMILESOc1cc(C=C2c3ccccc3CCc3ccccc32)ccc1F
InChIInChI=1S/C22H17FO/c23-21-12-9-15(14-22(21)24)13-20-18-7-3-1-5-16(18)10-11-17-6-2-4-8-19(17)20/h1-9,12-14,24H,10-11H2
InChIKeyJICZSKCMIUZYME-UHFFFAOYSA-N
XLogP5.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.38
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_A(13)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenol?
The IUPAC name of 2-fluoro-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenol (CID 59770522) is 2-fluoro-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenol.
What is the SMILES notation for 2-fluoro-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenol?
The canonical SMILES for 2-fluoro-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenol is Oc1cc(C=C2c3ccccc3CCc3ccccc32)ccc1F.
What is the InChIKey of 2-fluoro-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenol?
The InChIKey is JICZSKCMIUZYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FO/c23-21-12-9-15(14-22(21)24)13-20-18-7-3-1-5-16(18)10-11-17-6-2-4-8-19(17)20/h1-9,12-14,24H,10-11H2.
What are the key properties of 2-fluoro-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenol?
2-fluoro-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenol has a molecular weight of 316.38 g/mol, XLogP of 5.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenol is sourced from PubChem (CID 59770522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).