3,4-bis(4-fluorophenyl)-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaene

C24H14F2O — CID 146162647

IUPAC3,4-bis(4-fluorophenyl)-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaene
SMILESFc1ccc(C2=C(c3ccc(F)cc3)c3cccc4cccc(c34)O2)cc1
InChIInChI=1S/C24H14F2O/c25-18-11-7-16(8-12-18)23-20-5-1-3-15-4-2-6-21(22(15)20)27-24(23)17-9-13-19(26)14-10-17/h1-14H
InChIKeyCAFRLJXEVHDHRY-UHFFFAOYSA-N
MW356.37 g/mol
LogP6.43
Rot. Bonds2

About 3,4-bis(4-fluorophenyl)-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaene

3,4-bis(4-fluorophenyl)-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaene (PubChem CID 146162647) has the molecular formula C24H14F2O and a molecular weight of 356.37 g/mol. Its IUPAC name is 3,4-bis(4-fluorophenyl)-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaene.

Molecular Properties

Compound Name3,4-bis(4-fluorophenyl)-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaene
PubChem CID146162647
Molecular FormulaC24H14F2O
Molecular Weight356.37 g/mol
Exact Mass356.10
IUPAC Name3,4-bis(4-fluorophenyl)-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaene
SMILESFc1ccc(C2=C(c3ccc(F)cc3)c3cccc4cccc(c34)O2)cc1
InChIInChI=1S/C24H14F2O/c25-18-11-7-16(8-12-18)23-20-5-1-3-15-4-2-6-21(22(15)20)27-24(23)17-9-13-19(26)14-10-17/h1-14H
InChIKeyCAFRLJXEVHDHRY-UHFFFAOYSA-N
XLogP6.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.37
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,4-Dimethoxyanthracene
CID 83107
Benzyl 2-naphthyl ether
CID 123080
Benzo(kl)xanthene
CID 67456
2,2'-Dimethoxy-1,1'-binaphthyl
CID 235616
Naphthalene, 1-(phenylmethoxy)-
CID 136404
1-Methoxyphenanthrene
CID 43547
Multicaulin
CID 467782
2-Methoxy-1-[(2-methoxynaphthalen-1-yl)methyl]naphthalene
CID 96091
1-(2-Acetyloxynaphthyl)-2-naphthyl acetate
CID 350794
1-Ethoxynaphthalene
CID 21403
2,8-Dimethylnaphtho[3,2,1-kl]xanthene
CID 5052385
9,10-Diethoxyanthracene
CID 111623

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(4-fluorophenyl)-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaene?
The IUPAC name of 3,4-bis(4-fluorophenyl)-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaene (CID 146162647) is 3,4-bis(4-fluorophenyl)-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaene.
What is the SMILES notation for 3,4-bis(4-fluorophenyl)-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaene?
The canonical SMILES for 3,4-bis(4-fluorophenyl)-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaene is Fc1ccc(C2=C(c3ccc(F)cc3)c3cccc4cccc(c34)O2)cc1.
What is the InChIKey of 3,4-bis(4-fluorophenyl)-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaene?
The InChIKey is CAFRLJXEVHDHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F2O/c25-18-11-7-16(8-12-18)23-20-5-1-3-15-4-2-6-21(22(15)20)27-24(23)17-9-13-19(26)14-10-17/h1-14H.
What are the key properties of 3,4-bis(4-fluorophenyl)-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaene?
3,4-bis(4-fluorophenyl)-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaene has a molecular weight of 356.37 g/mol, XLogP of 6.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(4-fluorophenyl)-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaene is sourced from PubChem (CID 146162647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).