(4-cyanophenyl) 2-(4-ethylphenyl)acetate

C17H15NO2 — CID 175960528

IUPAC(4-cyanophenyl) 2-(4-ethylphenyl)acetate
SMILESCCc1ccc(CC(=O)Oc2ccc(C#N)cc2)cc1
InChIInChI=1S/C17H15NO2/c1-2-13-3-5-14(6-4-13)11-17(19)20-16-9-7-15(12-18)8-10-16/h3-10H,2,11H2,1H3
InChIKeyVPQHAKSVKKMJDH-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.27
Rot. Bonds4

About (4-cyanophenyl) 2-(4-ethylphenyl)acetate

(4-cyanophenyl) 2-(4-ethylphenyl)acetate (PubChem CID 175960528) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is (4-cyanophenyl) 2-(4-ethylphenyl)acetate.

Molecular Properties

Compound Name(4-cyanophenyl) 2-(4-ethylphenyl)acetate
PubChem CID175960528
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name(4-cyanophenyl) 2-(4-ethylphenyl)acetate
SMILESCCc1ccc(CC(=O)Oc2ccc(C#N)cc2)cc1
InChIInChI=1S/C17H15NO2/c1-2-13-3-5-14(6-4-13)11-17(19)20-16-9-7-15(12-18)8-10-16/h3-10H,2,11H2,1H3
InChIKeyVPQHAKSVKKMJDH-UHFFFAOYSA-N
XLogP3.27
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-cyanophenyl) 2-(3,4-dimethylphenyl)acetate
CID 4816204
(4-cyanophenyl) propanoate
CID 643285
2-(4-cyanophenoxy)ethyl 2-(4-ethylphenoxy)acetate
CID 30046988
(4-methoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 914131
(4-ethylphenyl) 3-cyanobenzoate
CID 4814388
4-ethylbenzonitrile;fluoromethane
CID 143083977
[4-(4-cyanophenyl)phenyl] 2-(4-ethoxyphenoxy)acetate
CID 4222030
[4-(4-cyanophenyl)phenyl] 4-propylbenzoate
CID 46864020
2-(4-cyanophenoxy)-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 7535470
(4-cyanophenyl) 4-bromobutanoate
CID 532372
(4-cyanophenyl) 4-[(2S)-2-methylbutyl]benzoate
CID 102009913
4-cyano-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide
CID 2571476

Frequently Asked Questions

What is the IUPAC name of (4-cyanophenyl) 2-(4-ethylphenyl)acetate?
The IUPAC name of (4-cyanophenyl) 2-(4-ethylphenyl)acetate (CID 175960528) is (4-cyanophenyl) 2-(4-ethylphenyl)acetate.
What is the SMILES notation for (4-cyanophenyl) 2-(4-ethylphenyl)acetate?
The canonical SMILES for (4-cyanophenyl) 2-(4-ethylphenyl)acetate is CCc1ccc(CC(=O)Oc2ccc(C#N)cc2)cc1.
What is the InChIKey of (4-cyanophenyl) 2-(4-ethylphenyl)acetate?
The InChIKey is VPQHAKSVKKMJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-2-13-3-5-14(6-4-13)11-17(19)20-16-9-7-15(12-18)8-10-16/h3-10H,2,11H2,1H3.
What are the key properties of (4-cyanophenyl) 2-(4-ethylphenyl)acetate?
(4-cyanophenyl) 2-(4-ethylphenyl)acetate has a molecular weight of 265.31 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyanophenyl) 2-(4-ethylphenyl)acetate is sourced from PubChem (CID 175960528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).