1-[4-(4-fluorophenoxy)phenyl]-3-prop-2-enylindole-6-carbonitrile

C24H17FN2O — CID 70650169

IUPAC1-[4-(4-fluorophenoxy)phenyl]-3-prop-2-enylindole-6-carbonitrile
SMILESC=CCc1cn(-c2ccc(Oc3ccc(F)cc3)cc2)c2cc(C#N)ccc12
InChIInChI=1S/C24H17FN2O/c1-2-3-18-16-27(24-14-17(15-26)4-13-23(18)24)20-7-11-22(12-8-20)28-21-9-5-19(25)6-10-21/h2,4-14,16H,1,3H2
InChIKeyOWWWEBIQQVGTPX-UHFFFAOYSA-N
MW368.41 g/mol
LogP6.16
Rot. Bonds5

About 1-[4-(4-fluorophenoxy)phenyl]-3-prop-2-enylindole-6-carbonitrile

1-[4-(4-fluorophenoxy)phenyl]-3-prop-2-enylindole-6-carbonitrile (PubChem CID 70650169) has the molecular formula C24H17FN2O and a molecular weight of 368.41 g/mol. Its IUPAC name is 1-[4-(4-fluorophenoxy)phenyl]-3-prop-2-enylindole-6-carbonitrile.

Molecular Properties

Compound Name1-[4-(4-fluorophenoxy)phenyl]-3-prop-2-enylindole-6-carbonitrile
PubChem CID70650169
Molecular FormulaC24H17FN2O
Molecular Weight368.41 g/mol
Exact Mass368.13
IUPAC Name1-[4-(4-fluorophenoxy)phenyl]-3-prop-2-enylindole-6-carbonitrile
SMILESC=CCc1cn(-c2ccc(Oc3ccc(F)cc3)cc2)c2cc(C#N)ccc12
InChIInChI=1S/C24H17FN2O/c1-2-3-18-16-27(24-14-17(15-26)4-13-23(18)24)20-7-11-22(12-8-20)28-21-9-5-19(25)6-10-21/h2,4-14,16H,1,3H2
InChIKeyOWWWEBIQQVGTPX-UHFFFAOYSA-N
XLogP6.16
TPSA37.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.41
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenoxy)phenyl]-3-prop-2-enylindole-6-carbonitrile?
The IUPAC name of 1-[4-(4-fluorophenoxy)phenyl]-3-prop-2-enylindole-6-carbonitrile (CID 70650169) is 1-[4-(4-fluorophenoxy)phenyl]-3-prop-2-enylindole-6-carbonitrile.
What is the SMILES notation for 1-[4-(4-fluorophenoxy)phenyl]-3-prop-2-enylindole-6-carbonitrile?
The canonical SMILES for 1-[4-(4-fluorophenoxy)phenyl]-3-prop-2-enylindole-6-carbonitrile is C=CCc1cn(-c2ccc(Oc3ccc(F)cc3)cc2)c2cc(C#N)ccc12.
What is the InChIKey of 1-[4-(4-fluorophenoxy)phenyl]-3-prop-2-enylindole-6-carbonitrile?
The InChIKey is OWWWEBIQQVGTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN2O/c1-2-3-18-16-27(24-14-17(15-26)4-13-23(18)24)20-7-11-22(12-8-20)28-21-9-5-19(25)6-10-21/h2,4-14,16H,1,3H2.
What are the key properties of 1-[4-(4-fluorophenoxy)phenyl]-3-prop-2-enylindole-6-carbonitrile?
1-[4-(4-fluorophenoxy)phenyl]-3-prop-2-enylindole-6-carbonitrile has a molecular weight of 368.41 g/mol, XLogP of 6.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenoxy)phenyl]-3-prop-2-enylindole-6-carbonitrile is sourced from PubChem (CID 70650169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).