4-[2-[2-(hydroxymethyl)phenoxy]ethoxy]benzonitrile

C16H15NO3 — CID 60772346

IUPAC4-[2-[2-(hydroxymethyl)phenoxy]ethoxy]benzonitrile
SMILESN#Cc1ccc(OCCOc2ccccc2CO)cc1
InChIInChI=1S/C16H15NO3/c17-11-13-5-7-15(8-6-13)19-9-10-20-16-4-2-1-3-14(16)12-18/h1-8,18H,9-10,12H2
InChIKeyWUDRWJHANDYFLI-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.51
Rot. Bonds6

About 4-[2-[2-(hydroxymethyl)phenoxy]ethoxy]benzonitrile

4-[2-[2-(hydroxymethyl)phenoxy]ethoxy]benzonitrile (PubChem CID 60772346) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-[2-[2-(hydroxymethyl)phenoxy]ethoxy]benzonitrile.

Molecular Properties

Compound Name4-[2-[2-(hydroxymethyl)phenoxy]ethoxy]benzonitrile
PubChem CID60772346
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name4-[2-[2-(hydroxymethyl)phenoxy]ethoxy]benzonitrile
SMILESN#Cc1ccc(OCCOc2ccccc2CO)cc1
InChIInChI=1S/C16H15NO3/c17-11-13-5-7-15(8-6-13)19-9-10-20-16-4-2-1-3-14(16)12-18/h1-8,18H,9-10,12H2
InChIKeyWUDRWJHANDYFLI-UHFFFAOYSA-N
XLogP2.51
TPSA62.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanol
CID 60773075
4-[4-[7-[2-[7-[4-[4-[7-[2-[7-[4-(4-cyanophenyl)phenoxy]heptoxy]phenoxy]heptoxy]phenyl]phenoxy]heptoxy]phenoxy]heptoxy]phenyl]benzonitrile
CID 102084171
2-[2-(4-cyanophenoxy)ethoxy]-N-methylbenzamide
CID 167745034
4-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzonitrile
CID 10572027
[2-[2-(2-methylphenoxy)ethoxy]phenyl]methanol
CID 86767907
[2-(2-butoxyethoxy)phenyl]methanol
CID 29003825
4-[2-(2,6-dimethoxyphenoxy)ethoxy]benzonitrile
CID 51142108
4-[[3-(hydroxymethyl)-2-pyridinyl]oxy]benzonitrile
CID 114056436
4-(5-hydroxypentoxy)benzonitrile
CID 62228630
(4-cyanophenyl)methyl 2-(2-phenoxyethoxy)benzoate
CID 4562658
[2-(2-propan-2-yloxyethoxy)phenyl]methanol
CID 28945937
4-[2-(4-ethoxyphenoxy)ethoxy]benzonitrile
CID 43213507

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(hydroxymethyl)phenoxy]ethoxy]benzonitrile?
The IUPAC name of 4-[2-[2-(hydroxymethyl)phenoxy]ethoxy]benzonitrile (CID 60772346) is 4-[2-[2-(hydroxymethyl)phenoxy]ethoxy]benzonitrile.
What is the SMILES notation for 4-[2-[2-(hydroxymethyl)phenoxy]ethoxy]benzonitrile?
The canonical SMILES for 4-[2-[2-(hydroxymethyl)phenoxy]ethoxy]benzonitrile is N#Cc1ccc(OCCOc2ccccc2CO)cc1.
What is the InChIKey of 4-[2-[2-(hydroxymethyl)phenoxy]ethoxy]benzonitrile?
The InChIKey is WUDRWJHANDYFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c17-11-13-5-7-15(8-6-13)19-9-10-20-16-4-2-1-3-14(16)12-18/h1-8,18H,9-10,12H2.
What are the key properties of 4-[2-[2-(hydroxymethyl)phenoxy]ethoxy]benzonitrile?
4-[2-[2-(hydroxymethyl)phenoxy]ethoxy]benzonitrile has a molecular weight of 269.30 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(hydroxymethyl)phenoxy]ethoxy]benzonitrile is sourced from PubChem (CID 60772346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).