2-phenoxynonanenitrile

C15H21NO — CID 68573362

IUPAC2-phenoxynonanenitrile
SMILESCCCCCCCC(C#N)Oc1ccccc1
InChIInChI=1S/C15H21NO/c1-2-3-4-5-7-12-15(13-16)17-14-10-8-6-9-11-14/h6,8-11,15H,2-5,7,12H2,1H3
InChIKeyWLHUABFOUNRNBW-UHFFFAOYSA-N
MW231.34 g/mol
LogP4.32
Rot. Bonds8

About 2-phenoxynonanenitrile

2-phenoxynonanenitrile (PubChem CID 68573362) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-phenoxynonanenitrile.

Molecular Properties

Compound Name2-phenoxynonanenitrile
PubChem CID68573362
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-phenoxynonanenitrile
SMILESCCCCCCCC(C#N)Oc1ccccc1
InChIInChI=1S/C15H21NO/c1-2-3-4-5-7-12-15(13-16)17-14-10-8-6-9-11-14/h6,8-11,15H,2-5,7,12H2,1H3
InChIKeyWLHUABFOUNRNBW-UHFFFAOYSA-N
XLogP4.32
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 70520234
2-phenoxyundecanal
CID 57130450
[(2R,3S)-2-deuteriooctan-3-yl]oxybenzene
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Frequently Asked Questions

What is the IUPAC name of 2-phenoxynonanenitrile?
The IUPAC name of 2-phenoxynonanenitrile (CID 68573362) is 2-phenoxynonanenitrile.
What is the SMILES notation for 2-phenoxynonanenitrile?
The canonical SMILES for 2-phenoxynonanenitrile is CCCCCCCC(C#N)Oc1ccccc1.
What is the InChIKey of 2-phenoxynonanenitrile?
The InChIKey is WLHUABFOUNRNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-3-4-5-7-12-15(13-16)17-14-10-8-6-9-11-14/h6,8-11,15H,2-5,7,12H2,1H3.
What are the key properties of 2-phenoxynonanenitrile?
2-phenoxynonanenitrile has a molecular weight of 231.34 g/mol, XLogP of 4.32, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxynonanenitrile is sourced from PubChem (CID 68573362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).