3-(4-hydrazinyl-3-methylphenoxy)benzonitrile

C14H13N3O — CID 118138183

IUPAC3-(4-hydrazinyl-3-methylphenoxy)benzonitrile
SMILESCc1cc(Oc2cccc(C#N)c2)ccc1NN
InChIInChI=1S/C14H13N3O/c1-10-7-13(5-6-14(10)17-16)18-12-4-2-3-11(8-12)9-15/h2-8,17H,16H2,1H3
InChIKeyQCCBNNLEOMQTEX-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.94
Rot. Bonds3

About 3-(4-hydrazinyl-3-methylphenoxy)benzonitrile

3-(4-hydrazinyl-3-methylphenoxy)benzonitrile (PubChem CID 118138183) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-(4-hydrazinyl-3-methylphenoxy)benzonitrile.

Molecular Properties

Compound Name3-(4-hydrazinyl-3-methylphenoxy)benzonitrile
PubChem CID118138183
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name3-(4-hydrazinyl-3-methylphenoxy)benzonitrile
SMILESCc1cc(Oc2cccc(C#N)c2)ccc1NN
InChIInChI=1S/C14H13N3O/c1-10-7-13(5-6-14(10)17-16)18-12-4-2-3-11(8-12)9-15/h2-8,17H,16H2,1H3
InChIKeyQCCBNNLEOMQTEX-UHFFFAOYSA-N
XLogP2.94
TPSA71.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[3-(dimethylamino)phenoxy]benzonitrile
CID 102818049
3-[4-[2-[4-(4-tert-butylphenoxy)-2-methylphenyl]propan-2-yl]phenoxy]benzonitrile
CID 134379031
3-(4-methyl-3-nitrophenoxy)benzonitrile
CID 54059022
N-methoxy-2-methyl-4-phenoxyaniline
CID 134408976
3-(3-ethylphenoxy)benzonitrile
CID 66843456
3-(3-ethoxyphenoxy)benzonitrile
CID 66843791
methyl 3-(3-cyanophenoxy)benzoate
CID 139818102
4-(4-methoxy-2-methylanilino)-3-methylbenzonitrile
CID 55129912
3-(4-formylphenoxy)benzonitrile
CID 13238539
3-(4-amino-5-chloro-2-methylphenoxy)benzonitrile
CID 113334441
3-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]oxy]benzonitrile
CID 83127679
3-[4-amino-3-(cyanomethyl)phenoxy]benzonitrile
CID 102624859

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydrazinyl-3-methylphenoxy)benzonitrile?
The IUPAC name of 3-(4-hydrazinyl-3-methylphenoxy)benzonitrile (CID 118138183) is 3-(4-hydrazinyl-3-methylphenoxy)benzonitrile.
What is the SMILES notation for 3-(4-hydrazinyl-3-methylphenoxy)benzonitrile?
The canonical SMILES for 3-(4-hydrazinyl-3-methylphenoxy)benzonitrile is Cc1cc(Oc2cccc(C#N)c2)ccc1NN.
What is the InChIKey of 3-(4-hydrazinyl-3-methylphenoxy)benzonitrile?
The InChIKey is QCCBNNLEOMQTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-10-7-13(5-6-14(10)17-16)18-12-4-2-3-11(8-12)9-15/h2-8,17H,16H2,1H3.
What are the key properties of 3-(4-hydrazinyl-3-methylphenoxy)benzonitrile?
3-(4-hydrazinyl-3-methylphenoxy)benzonitrile has a molecular weight of 239.28 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydrazinyl-3-methylphenoxy)benzonitrile is sourced from PubChem (CID 118138183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).