2-(4-cyanophenoxy)ethyl 2-(4-ethylphenoxy)acetate

C19H19NO4 — CID 30046988

IUPAC2-(4-cyanophenoxy)ethyl 2-(4-ethylphenoxy)acetate
SMILESCCc1ccc(OCC(=O)OCCOc2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H19NO4/c1-2-15-3-7-18(8-4-15)24-14-19(21)23-12-11-22-17-9-5-16(13-20)6-10-17/h3-10H,2,11-12,14H2,1H3
InChIKeyHKDJRUMSLBXWQG-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.12
Rot. Bonds8

About 2-(4-cyanophenoxy)ethyl 2-(4-ethylphenoxy)acetate

2-(4-cyanophenoxy)ethyl 2-(4-ethylphenoxy)acetate (PubChem CID 30046988) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)ethyl 2-(4-ethylphenoxy)acetate.

Molecular Properties

Compound Name2-(4-cyanophenoxy)ethyl 2-(4-ethylphenoxy)acetate
PubChem CID30046988
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name2-(4-cyanophenoxy)ethyl 2-(4-ethylphenoxy)acetate
SMILESCCc1ccc(OCC(=O)OCCOc2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H19NO4/c1-2-15-3-7-18(8-4-15)24-14-19(21)23-12-11-22-17-9-5-16(13-20)6-10-17/h3-10H,2,11-12,14H2,1H3
InChIKeyHKDJRUMSLBXWQG-UHFFFAOYSA-N
XLogP3.12
TPSA68.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

propyl 2-(4-ethylphenoxy)acetate
CID 78907907
2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(4-ethylphenoxy)acetate
CID 39415083
2-(3-bromophenoxy)ethyl 2-(4-cyanophenoxy)acetate
CID 9140855
(2-amino-2-oxoethyl) 2-(4-cyanophenoxy)acetate
CID 2098514
2-(4-cyanophenoxy)-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 7535470
(4-cyanophenyl) 2-(4-ethylphenyl)acetate
CID 175960528
4-cyano-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide
CID 2571476
(4-methylsulfanylphenyl)methyl 2-(4-cyanophenoxy)acetate
CID 7843363
[2-(butylamino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 9140972
2-(4-cyanophenoxy)ethyl 2-(2-bromo-4-fluorophenoxy)acetate
CID 30062305
2-(4-ethylphenoxy)-N-methylacetohydrazide
CID 116820497
2-[2-(4-methylphenoxy)acetyl]oxyethyl 2-(4-methylphenoxy)acetate
CID 90306782

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)ethyl 2-(4-ethylphenoxy)acetate?
The IUPAC name of 2-(4-cyanophenoxy)ethyl 2-(4-ethylphenoxy)acetate (CID 30046988) is 2-(4-cyanophenoxy)ethyl 2-(4-ethylphenoxy)acetate.
What is the SMILES notation for 2-(4-cyanophenoxy)ethyl 2-(4-ethylphenoxy)acetate?
The canonical SMILES for 2-(4-cyanophenoxy)ethyl 2-(4-ethylphenoxy)acetate is CCc1ccc(OCC(=O)OCCOc2ccc(C#N)cc2)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)ethyl 2-(4-ethylphenoxy)acetate?
The InChIKey is HKDJRUMSLBXWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-2-15-3-7-18(8-4-15)24-14-19(21)23-12-11-22-17-9-5-16(13-20)6-10-17/h3-10H,2,11-12,14H2,1H3.
What are the key properties of 2-(4-cyanophenoxy)ethyl 2-(4-ethylphenoxy)acetate?
2-(4-cyanophenoxy)ethyl 2-(4-ethylphenoxy)acetate has a molecular weight of 325.36 g/mol, XLogP of 3.12, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)ethyl 2-(4-ethylphenoxy)acetate is sourced from PubChem (CID 30046988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).