2-phenylmethoxybenzonitrile;propane

C17H19NO — CID 142369146

IUPAC2-phenylmethoxybenzonitrile;propane
SMILESCCC.N#Cc1ccccc1OCc1ccccc1
InChIInChI=1S/C14H11NO.C3H8/c15-10-13-8-4-5-9-14(13)16-11-12-6-2-1-3-7-12;1-3-2/h1-9H,11H2;3H2,1-2H3
InChIKeyRIPYPDRXPXTSID-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.55
Rot. Bonds3

About 2-phenylmethoxybenzonitrile;propane

2-phenylmethoxybenzonitrile;propane (PubChem CID 142369146) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-phenylmethoxybenzonitrile;propane.

Molecular Properties

Compound Name2-phenylmethoxybenzonitrile;propane
PubChem CID142369146
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name2-phenylmethoxybenzonitrile;propane
SMILESCCC.N#Cc1ccccc1OCc1ccccc1
InChIInChI=1S/C14H11NO.C3H8/c15-10-13-8-4-5-9-14(13)16-11-12-6-2-1-3-7-12;1-3-2/h1-9H,11H2;3H2,1-2H3
InChIKeyRIPYPDRXPXTSID-UHFFFAOYSA-N
XLogP4.55
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-cyanophenoxy)methyl]benzoic acid
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3-phenylmethoxynaphthalene-2-carbonitrile
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4-phenylmethoxynaphthalene-1-carbonitrile
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4-(aminomethyl)-2-phenylmethoxybenzonitrile
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3-fluoro-2-(2-phenylmethoxyphenyl)benzonitrile
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2-(2-phenylmethoxyphenyl)pyridine-3-carbonitrile
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2-butoxy-6-phenylmethoxybenzonitrile
CID 90930969
2-[[2-[2-(2-methylphenyl)ethynyl]phenyl]methoxy]benzonitrile
CID 122386147
2-(methoxymethoxy)benzonitrile
CID 10352018
4-nitro-2-phenylmethoxybenzonitrile
CID 11780048
2-(cyanomethoxy)benzonitrile
CID 4156437
3-[(2-cyanophenoxy)methyl]benzohydrazide
CID 63575853

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxybenzonitrile;propane?
The IUPAC name of 2-phenylmethoxybenzonitrile;propane (CID 142369146) is 2-phenylmethoxybenzonitrile;propane.
What is the SMILES notation for 2-phenylmethoxybenzonitrile;propane?
The canonical SMILES for 2-phenylmethoxybenzonitrile;propane is CCC.N#Cc1ccccc1OCc1ccccc1.
What is the InChIKey of 2-phenylmethoxybenzonitrile;propane?
The InChIKey is RIPYPDRXPXTSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO.C3H8/c15-10-13-8-4-5-9-14(13)16-11-12-6-2-1-3-7-12;1-3-2/h1-9H,11H2;3H2,1-2H3.
What are the key properties of 2-phenylmethoxybenzonitrile;propane?
2-phenylmethoxybenzonitrile;propane has a molecular weight of 253.34 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxybenzonitrile;propane is sourced from PubChem (CID 142369146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).