4-phenylmethoxy-2-(propylideneamino)oxybenzonitrile

C17H16N2O2 — CID 173309664

IUPAC4-phenylmethoxy-2-(propylideneamino)oxybenzonitrile
SMILESCCC=NOc1cc(OCc2ccccc2)ccc1C#N
InChIInChI=1S/C17H16N2O2/c1-2-10-19-21-17-11-16(9-8-15(17)12-18)20-13-14-6-4-3-5-7-14/h3-11H,2,13H2,1H3
InChIKeyKZSQOBHNBDVJKK-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.91
Rot. Bonds6

About 4-phenylmethoxy-2-(propylideneamino)oxybenzonitrile

4-phenylmethoxy-2-(propylideneamino)oxybenzonitrile (PubChem CID 173309664) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-phenylmethoxy-2-(propylideneamino)oxybenzonitrile.

Molecular Properties

Compound Name4-phenylmethoxy-2-(propylideneamino)oxybenzonitrile
PubChem CID173309664
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name4-phenylmethoxy-2-(propylideneamino)oxybenzonitrile
SMILESCCC=NOc1cc(OCc2ccccc2)ccc1C#N
InChIInChI=1S/C17H16N2O2/c1-2-10-19-21-17-11-16(9-8-15(17)12-18)20-13-14-6-4-3-5-7-14/h3-11H,2,13H2,1H3
InChIKeyKZSQOBHNBDVJKK-UHFFFAOYSA-N
XLogP3.91
TPSA54.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 70080910
N-(2-phenylmethoxyphenoxy)propan-1-imine
CID 118526745
ethyl 2-(2-cyano-5-phenylmethoxyphenoxy)acetate
CID 54227701
2-phenylmethoxybenzonitrile;propane
CID 142369146
3-phenylmethoxynaphthalene-2-carbonitrile
CID 86260131
2-(methoxymethoxymethyl)-4-phenylmethoxybenzonitrile
CID 138974840
2-chloro-4-[(4-ethylphenyl)methoxy]benzonitrile
CID 102723978
2-(difluoromethoxy)-4-(3-phenylmethoxyphenyl)benzonitrile
CID 175686570
4-phenylmethoxynaphthalene-1-carbonitrile
CID 23318695
4-(aminomethyl)-2-phenylmethoxybenzonitrile
CID 22476142
4-methoxy-2-(2-phenylethoxy)benzonitrile
CID 20986806
2-(dibenzylamino)-5-phenylmethoxybenzonitrile
CID 170987093

Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-2-(propylideneamino)oxybenzonitrile?
The IUPAC name of 4-phenylmethoxy-2-(propylideneamino)oxybenzonitrile (CID 173309664) is 4-phenylmethoxy-2-(propylideneamino)oxybenzonitrile.
What is the SMILES notation for 4-phenylmethoxy-2-(propylideneamino)oxybenzonitrile?
The canonical SMILES for 4-phenylmethoxy-2-(propylideneamino)oxybenzonitrile is CCC=NOc1cc(OCc2ccccc2)ccc1C#N.
What is the InChIKey of 4-phenylmethoxy-2-(propylideneamino)oxybenzonitrile?
The InChIKey is KZSQOBHNBDVJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-2-10-19-21-17-11-16(9-8-15(17)12-18)20-13-14-6-4-3-5-7-14/h3-11H,2,13H2,1H3.
What are the key properties of 4-phenylmethoxy-2-(propylideneamino)oxybenzonitrile?
4-phenylmethoxy-2-(propylideneamino)oxybenzonitrile has a molecular weight of 280.33 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-2-(propylideneamino)oxybenzonitrile is sourced from PubChem (CID 173309664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).