1-(4-fluorophenyl)-1-[3-(oxan-2-yloxy)propyl]-3H-2-benzofuran-5-carbonitrile

C23H24FNO3 — CID 15520972

IUPAC1-(4-fluorophenyl)-1-[3-(oxan-2-yloxy)propyl]-3H-2-benzofuran-5-carbonitrile
SMILESN#Cc1ccc2c(c1)COC2(CCCOC1CCCCO1)c1ccc(F)cc1
InChIInChI=1S/C23H24FNO3/c24-20-8-6-19(7-9-20)23(11-3-13-27-22-4-1-2-12-26-22)21-10-5-17(15-25)14-18(21)16-28-23/h5-10,14,22H,1-4,11-13,16H2
InChIKeyMISRDHPJNVDXCE-UHFFFAOYSA-N
MW381.45 g/mol
LogP4.79
Rot. Bonds6

About 1-(4-fluorophenyl)-1-[3-(oxan-2-yloxy)propyl]-3H-2-benzofuran-5-carbonitrile

1-(4-fluorophenyl)-1-[3-(oxan-2-yloxy)propyl]-3H-2-benzofuran-5-carbonitrile (PubChem CID 15520972) has the molecular formula C23H24FNO3 and a molecular weight of 381.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-1-[3-(oxan-2-yloxy)propyl]-3H-2-benzofuran-5-carbonitrile.

Molecular Properties

Compound Name1-(4-fluorophenyl)-1-[3-(oxan-2-yloxy)propyl]-3H-2-benzofuran-5-carbonitrile
PubChem CID15520972
Molecular FormulaC23H24FNO3
Molecular Weight381.45 g/mol
Exact Mass381.17
IUPAC Name1-(4-fluorophenyl)-1-[3-(oxan-2-yloxy)propyl]-3H-2-benzofuran-5-carbonitrile
SMILESN#Cc1ccc2c(c1)COC2(CCCOC1CCCCO1)c1ccc(F)cc1
InChIInChI=1S/C23H24FNO3/c24-20-8-6-19(7-9-20)23(11-3-13-27-22-4-1-2-12-26-22)21-10-5-17(15-25)14-18(21)16-28-23/h5-10,14,22H,1-4,11-13,16H2
InChIKeyMISRDHPJNVDXCE-UHFFFAOYSA-N
XLogP4.79
TPSA51.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-fluorophenyl)-1-[3-(oxan-2-yloxy)propyl]-3H-2-benzofuran-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4'-Fluorophenyl)-1,3-DihydroIsobenzofuran-5-Carbonitrile
CID 9856159
4-[[(3S,3'R,4'S,5'S,6'R)-3',4',5'-trihydroxy-6'-(hydroxymethyl)spiro[1H-2-benzofuran-3,2'-oxane]-5-yl]methyl]benzonitrile
CID 57556431
1-(4-fluorophenyl)-1-(4-methylpentyl)-3H-2-benzofuran-5-carbonitrile;hydrobromide
CID 45263392
1,1-Bis(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile
CID 24208003
1-(4-fluorophenyl)-1-prop-2-enyl-3H-2-benzofuran-5-carbonitrile
CID 9965483
1-but-3-enyl-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile
CID 135069076
1-(4-fluorophenyl)-1-(hydroxymethyl)-3H-2-benzofuran-5-carbonitrile
CID 164676737
4-[5-(1,3-Dioxan-2-yl)-2-fluorophenyl]benzonitrile
CID 166447444
4-[4-(1,3-Dioxolan-2-yl)phenyl]-2-fluorobenzonitrile
CID 177433764
1-(4-Fluorophenyl)-1-(3-hydroxypropyl)-1,3-dihydro-5-isobenzofurancarbonitrile
CID 9835846
4-[3-[1,3]-dioxolan-2-yL-1-(4-fluorophenyl)-1-hydroxypropyl]-3-hydroxymethylbenzonitrile
CID 10108975
1-(4-fluorophenyl)-1-(3-phenylmethoxypropyl)-3H-2-benzofuran-5-carbonitrile
CID 11303757

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-1-[3-(oxan-2-yloxy)propyl]-3H-2-benzofuran-5-carbonitrile?
The IUPAC name of 1-(4-fluorophenyl)-1-[3-(oxan-2-yloxy)propyl]-3H-2-benzofuran-5-carbonitrile (CID 15520972) is 1-(4-fluorophenyl)-1-[3-(oxan-2-yloxy)propyl]-3H-2-benzofuran-5-carbonitrile.
What is the SMILES notation for 1-(4-fluorophenyl)-1-[3-(oxan-2-yloxy)propyl]-3H-2-benzofuran-5-carbonitrile?
The canonical SMILES for 1-(4-fluorophenyl)-1-[3-(oxan-2-yloxy)propyl]-3H-2-benzofuran-5-carbonitrile is N#Cc1ccc2c(c1)COC2(CCCOC1CCCCO1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-1-[3-(oxan-2-yloxy)propyl]-3H-2-benzofuran-5-carbonitrile?
The InChIKey is MISRDHPJNVDXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO3/c24-20-8-6-19(7-9-20)23(11-3-13-27-22-4-1-2-12-26-22)21-10-5-17(15-25)14-18(21)16-28-23/h5-10,14,22H,1-4,11-13,16H2.
What are the key properties of 1-(4-fluorophenyl)-1-[3-(oxan-2-yloxy)propyl]-3H-2-benzofuran-5-carbonitrile?
1-(4-fluorophenyl)-1-[3-(oxan-2-yloxy)propyl]-3H-2-benzofuran-5-carbonitrile has a molecular weight of 381.45 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-1-[3-(oxan-2-yloxy)propyl]-3H-2-benzofuran-5-carbonitrile is sourced from PubChem (CID 15520972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).