4-indol-1-yl-2-phenylmethoxybenzonitrile

C22H16N2O — CID 18452890

IUPAC4-indol-1-yl-2-phenylmethoxybenzonitrile
SMILESN#Cc1ccc(-n2ccc3ccccc32)cc1OCc1ccccc1
InChIInChI=1S/C22H16N2O/c23-15-19-10-11-20(24-13-12-18-8-4-5-9-21(18)24)14-22(19)25-16-17-6-2-1-3-7-17/h1-14H,16H2
InChIKeyVMJKPIULBFWWEP-UHFFFAOYSA-N
MW324.38 g/mol
LogP5.08
Rot. Bonds4

About 4-indol-1-yl-2-phenylmethoxybenzonitrile

4-indol-1-yl-2-phenylmethoxybenzonitrile (PubChem CID 18452890) has the molecular formula C22H16N2O and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-indol-1-yl-2-phenylmethoxybenzonitrile.

Molecular Properties

Compound Name4-indol-1-yl-2-phenylmethoxybenzonitrile
PubChem CID18452890
Molecular FormulaC22H16N2O
Molecular Weight324.38 g/mol
Exact Mass324.13
IUPAC Name4-indol-1-yl-2-phenylmethoxybenzonitrile
SMILESN#Cc1ccc(-n2ccc3ccccc32)cc1OCc1ccccc1
InChIInChI=1S/C22H16N2O/c23-15-19-10-11-20(24-13-12-18-8-4-5-9-21(18)24)14-22(19)25-16-17-6-2-1-3-7-17/h1-14H,16H2
InChIKeyVMJKPIULBFWWEP-UHFFFAOYSA-N
XLogP5.08
TPSA37.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.38
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenylmethoxynaphthalene-2-carbonitrile
CID 86260131
4-(aminomethyl)-2-phenylmethoxybenzonitrile
CID 22476142
4-nitro-2-phenylmethoxybenzonitrile
CID 11780048
1-phenyl-6-phenylmethoxyindole
CID 22049132
4-azido-2-phenylmethoxybenzonitrile
CID 150250113
2-phenylmethoxybenzonitrile;propane
CID 142369146
4-bromo-2-[(4-bromophenyl)methoxy]benzonitrile
CID 114902529
4-phenylmethoxynaphthalene-1-carbonitrile
CID 23318695
4-(3-chloroprop-1-enyl)-2-phenylmethoxybenzonitrile
CID 169478283
4-(4-bromobut-1-ynyl)-2-phenylmethoxybenzonitrile
CID 170467104
4-(4-oxobut-1-enyl)-2-phenylmethoxybenzonitrile
CID 170482858
4-(4-aminobut-1-enyl)-2-phenylmethoxybenzonitrile
CID 170487913

Frequently Asked Questions

What is the IUPAC name of 4-indol-1-yl-2-phenylmethoxybenzonitrile?
The IUPAC name of 4-indol-1-yl-2-phenylmethoxybenzonitrile (CID 18452890) is 4-indol-1-yl-2-phenylmethoxybenzonitrile.
What is the SMILES notation for 4-indol-1-yl-2-phenylmethoxybenzonitrile?
The canonical SMILES for 4-indol-1-yl-2-phenylmethoxybenzonitrile is N#Cc1ccc(-n2ccc3ccccc32)cc1OCc1ccccc1.
What is the InChIKey of 4-indol-1-yl-2-phenylmethoxybenzonitrile?
The InChIKey is VMJKPIULBFWWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O/c23-15-19-10-11-20(24-13-12-18-8-4-5-9-21(18)24)14-22(19)25-16-17-6-2-1-3-7-17/h1-14H,16H2.
What are the key properties of 4-indol-1-yl-2-phenylmethoxybenzonitrile?
4-indol-1-yl-2-phenylmethoxybenzonitrile has a molecular weight of 324.38 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-indol-1-yl-2-phenylmethoxybenzonitrile is sourced from PubChem (CID 18452890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).