6-[(2-chlorophenyl)methoxy]-2,2-dimethylhexanenitrile

C15H20ClNO — CID 106710373

IUPAC6-[(2-chlorophenyl)methoxy]-2,2-dimethylhexanenitrile
SMILESCC(C)(C#N)CCCCOCc1ccccc1Cl
InChIInChI=1S/C15H20ClNO/c1-15(2,12-17)9-5-6-10-18-11-13-7-3-4-8-14(13)16/h3-4,7-8H,5-6,9-11H2,1-2H3
InChIKeyHLGKQELUWRDYBM-UHFFFAOYSA-N
MW265.78 g/mol
LogP4.58
Rot. Bonds7

About 6-[(2-chlorophenyl)methoxy]-2,2-dimethylhexanenitrile

6-[(2-chlorophenyl)methoxy]-2,2-dimethylhexanenitrile (PubChem CID 106710373) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 6-[(2-chlorophenyl)methoxy]-2,2-dimethylhexanenitrile.

Molecular Properties

Compound Name6-[(2-chlorophenyl)methoxy]-2,2-dimethylhexanenitrile
PubChem CID106710373
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name6-[(2-chlorophenyl)methoxy]-2,2-dimethylhexanenitrile
SMILESCC(C)(C#N)CCCCOCc1ccccc1Cl
InChIInChI=1S/C15H20ClNO/c1-15(2,12-17)9-5-6-10-18-11-13-7-3-4-8-14(13)16/h3-4,7-8H,5-6,9-11H2,1-2H3
InChIKeyHLGKQELUWRDYBM-UHFFFAOYSA-N
XLogP4.58
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 54.58
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

6-[2-(2-aminophenyl)ethoxy]-2,2-dimethylhexanenitrile
CID 106708323
2,2-dimethyl-6-(2-phenoxyethoxy)hexanenitrile
CID 106710375
4-[(2-chlorophenyl)methoxy]-N-(2-methoxyethyl)butan-1-amine
CID 62566151
6-(2-methoxyphenoxy)-2,2-dimethylhexanenitrile
CID 106710361
6-[2-(ethylaminomethyl)phenoxy]-2,2-dimethylhexanenitrile
CID 106708767
2,2-dimethyl-6-propoxyhexanenitrile
CID 106710437
1-chloro-2-(2-methylsulfanylethoxymethyl)benzene
CID 104863774
6-(3-hydroxynaphthalen-2-yl)oxy-2,2-dimethylhexanenitrile
CID 106713098
2,2-dimethyl-6-naphthalen-2-yloxyhexanenitrile
CID 106710365
4-[(2-chlorophenyl)methoxy]butan-2-one
CID 62030218
2-[4-[2-[(2-chlorophenyl)methoxy]ethoxy]phenyl]acetonitrile
CID 43289444
3-[(2-chlorophenyl)methoxy]propanal
CID 63038724

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chlorophenyl)methoxy]-2,2-dimethylhexanenitrile?
The IUPAC name of 6-[(2-chlorophenyl)methoxy]-2,2-dimethylhexanenitrile (CID 106710373) is 6-[(2-chlorophenyl)methoxy]-2,2-dimethylhexanenitrile.
What is the SMILES notation for 6-[(2-chlorophenyl)methoxy]-2,2-dimethylhexanenitrile?
The canonical SMILES for 6-[(2-chlorophenyl)methoxy]-2,2-dimethylhexanenitrile is CC(C)(C#N)CCCCOCc1ccccc1Cl.
What is the InChIKey of 6-[(2-chlorophenyl)methoxy]-2,2-dimethylhexanenitrile?
The InChIKey is HLGKQELUWRDYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-15(2,12-17)9-5-6-10-18-11-13-7-3-4-8-14(13)16/h3-4,7-8H,5-6,9-11H2,1-2H3.
What are the key properties of 6-[(2-chlorophenyl)methoxy]-2,2-dimethylhexanenitrile?
6-[(2-chlorophenyl)methoxy]-2,2-dimethylhexanenitrile has a molecular weight of 265.78 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chlorophenyl)methoxy]-2,2-dimethylhexanenitrile is sourced from PubChem (CID 106710373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).