[4-(4-cyanophenyl)phenyl] 2-(4-ethoxyphenoxy)acetate

C23H19NO4 — CID 4222030

IUPAC[4-(4-cyanophenyl)phenyl] 2-(4-ethoxyphenoxy)acetate
SMILESCCOc1ccc(OCC(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1
InChIInChI=1S/C23H19NO4/c1-2-26-20-11-13-21(14-12-20)27-16-23(25)28-22-9-7-19(8-10-22)18-5-3-17(15-24)4-6-18/h3-14H,2,16H2,1H3
InChIKeyYRTWEPXHCWLTLY-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.61
Rot. Bonds7

About [4-(4-cyanophenyl)phenyl] 2-(4-ethoxyphenoxy)acetate

[4-(4-cyanophenyl)phenyl] 2-(4-ethoxyphenoxy)acetate (PubChem CID 4222030) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is [4-(4-cyanophenyl)phenyl] 2-(4-ethoxyphenoxy)acetate.

Molecular Properties

Compound Name[4-(4-cyanophenyl)phenyl] 2-(4-ethoxyphenoxy)acetate
PubChem CID4222030
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Name[4-(4-cyanophenyl)phenyl] 2-(4-ethoxyphenoxy)acetate
SMILESCCOc1ccc(OCC(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1
InChIInChI=1S/C23H19NO4/c1-2-26-20-11-13-21(14-12-20)27-16-23(25)28-22-9-7-19(8-10-22)18-5-3-17(15-24)4-6-18/h3-14H,2,16H2,1H3
InChIKeyYRTWEPXHCWLTLY-UHFFFAOYSA-N
XLogP4.61
TPSA68.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-phenylphenyl) 2-(4-ethoxyphenoxy)acetate
CID 19177827
[4-(4-cyanophenyl)phenyl] 2-(3-acetylphenoxy)acetate
CID 7937393
(4-cyanophenyl) 2-(4-chlorophenoxy)acetate
CID 4810628
(4-acetamidophenyl) 2-(4-cyanophenoxy)acetate
CID 26681952
(4-cyanophenyl) propanoate
CID 643285
[3-fluoro-4-(4-methylphenyl)phenyl] 2-[4-(4-cyanophenyl)phenoxy]acetate
CID 144581637
(4-cyanophenyl) 2-naphthalen-2-yloxyacetate
CID 4095400
[4-(4-cyanophenyl)phenyl] 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 55577146
(4-cyanophenyl) 2-(3-heptoxyphenoxy)acetate
CID 4733426
[4-[2-(4-cyanophenyl)pyrimidin-5-yl]phenyl] butanoate
CID 21393231
(4-cyanophenyl) 2-(2-cyanophenoxy)acetate
CID 4810644
4-[2-(4-ethoxyphenoxy)ethoxy]benzonitrile
CID 43213507

Frequently Asked Questions

What is the IUPAC name of [4-(4-cyanophenyl)phenyl] 2-(4-ethoxyphenoxy)acetate?
The IUPAC name of [4-(4-cyanophenyl)phenyl] 2-(4-ethoxyphenoxy)acetate (CID 4222030) is [4-(4-cyanophenyl)phenyl] 2-(4-ethoxyphenoxy)acetate.
What is the SMILES notation for [4-(4-cyanophenyl)phenyl] 2-(4-ethoxyphenoxy)acetate?
The canonical SMILES for [4-(4-cyanophenyl)phenyl] 2-(4-ethoxyphenoxy)acetate is CCOc1ccc(OCC(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1.
What is the InChIKey of [4-(4-cyanophenyl)phenyl] 2-(4-ethoxyphenoxy)acetate?
The InChIKey is YRTWEPXHCWLTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4/c1-2-26-20-11-13-21(14-12-20)27-16-23(25)28-22-9-7-19(8-10-22)18-5-3-17(15-24)4-6-18/h3-14H,2,16H2,1H3.
What are the key properties of [4-(4-cyanophenyl)phenyl] 2-(4-ethoxyphenoxy)acetate?
[4-(4-cyanophenyl)phenyl] 2-(4-ethoxyphenoxy)acetate has a molecular weight of 373.41 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-cyanophenyl)phenyl] 2-(4-ethoxyphenoxy)acetate is sourced from PubChem (CID 4222030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).