5-phenyl-2-phenylmethoxypentanenitrile

C18H19NO — CID 91422096

IUPAC5-phenyl-2-phenylmethoxypentanenitrile
SMILESN#CC(CCCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C18H19NO/c19-14-18(20-15-17-10-5-2-6-11-17)13-7-12-16-8-3-1-4-9-16/h1-6,8-11,18H,7,12-13,15H2
InChIKeyLMCBOYOOFCJBEC-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.12
Rot. Bonds7

About 5-phenyl-2-phenylmethoxypentanenitrile

5-phenyl-2-phenylmethoxypentanenitrile (PubChem CID 91422096) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-phenyl-2-phenylmethoxypentanenitrile.

Molecular Properties

Compound Name5-phenyl-2-phenylmethoxypentanenitrile
PubChem CID91422096
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name5-phenyl-2-phenylmethoxypentanenitrile
SMILESN#CC(CCCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C18H19NO/c19-14-18(20-15-17-10-5-2-6-11-17)13-7-12-16-8-3-1-4-9-16/h1-6,8-11,18H,7,12-13,15H2
InChIKeyLMCBOYOOFCJBEC-UHFFFAOYSA-N
XLogP4.12
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Diphenhydramine
CID 3100
2-(Diphenylmethoxy)ethylamine
CID 36060
Bis(1-phenylethyl) ether
CID 62342
2,2-Diphenyltetrahydrofuran
CID 70175
3-(Benzyloxy)propionitrile
CID 80620
2H-Pyran, tetrahydro-2-methyl-4-methylene-6-phenyl-
CID 121777
cis-Stilbene oxide
CID 98511
Bis(diphenylmethyl) ether
CID 11323
Benzene, 1,1'-(methoxymethylene)bis-
CID 219159
2H-Pyran, 3,6-dihydro-2,4-dimethyl-6-phenyl-
CID 107069
2H-Pyran, 3,6-dihydro-4,6-dimethyl-2-phenyl-
CID 107070
2H-Pyran, tetrahydro-4-methylene-2-phenyl-
CID 108444

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-phenylmethoxypentanenitrile?
The IUPAC name of 5-phenyl-2-phenylmethoxypentanenitrile (CID 91422096) is 5-phenyl-2-phenylmethoxypentanenitrile.
What is the SMILES notation for 5-phenyl-2-phenylmethoxypentanenitrile?
The canonical SMILES for 5-phenyl-2-phenylmethoxypentanenitrile is N#CC(CCCc1ccccc1)OCc1ccccc1.
What is the InChIKey of 5-phenyl-2-phenylmethoxypentanenitrile?
The InChIKey is LMCBOYOOFCJBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c19-14-18(20-15-17-10-5-2-6-11-17)13-7-12-16-8-3-1-4-9-16/h1-6,8-11,18H,7,12-13,15H2.
What are the key properties of 5-phenyl-2-phenylmethoxypentanenitrile?
5-phenyl-2-phenylmethoxypentanenitrile has a molecular weight of 265.36 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-phenylmethoxypentanenitrile is sourced from PubChem (CID 91422096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).