(4-cyanophenyl) 2-(4-chlorophenoxy)acetate

C15H10ClNO3 — CID 4810628

IUPAC(4-cyanophenyl) 2-(4-chlorophenoxy)acetate
SMILESN#Cc1ccc(OC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H10ClNO3/c16-12-3-7-13(8-4-12)19-10-15(18)20-14-5-1-11(9-17)2-6-14/h1-8H,10H2
InChIKeyQYTSHDSHYYOCIS-UHFFFAOYSA-N
MW287.70 g/mol
LogP3.20
Rot. Bonds4

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

(4-cyanophenyl) 2-(4-chlorophenoxy)acetate (PubChem CID 4810628) has the molecular formula C15H10ClNO3 and a molecular weight of 287.70 g/mol. Its IUPAC name is (4-cyanophenyl) 2-(4-chlorophenoxy)acetate.

Molecular Properties

Compound Name(4-cyanophenyl) 2-(4-chlorophenoxy)acetate
PubChem CID4810628
Molecular FormulaC15H10ClNO3
Molecular Weight287.70 g/mol
Exact Mass287.03
IUPAC Name(4-cyanophenyl) 2-(4-chlorophenoxy)acetate
SMILESN#Cc1ccc(OC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H10ClNO3/c16-12-3-7-13(8-4-12)19-10-15(18)20-14-5-1-11(9-17)2-6-14/h1-8H,10H2
InChIKeyQYTSHDSHYYOCIS-UHFFFAOYSA-N
XLogP3.20
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.70
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-chlorophenyl) 2-[4-[2-(4-chlorophenoxy)-2-oxoethoxy]phenoxy]acetate
CID 10503577
[4-(4-cyanophenyl)phenyl] 2-(4-ethoxyphenoxy)acetate
CID 4222030
(4-cyanophenyl) 2-naphthalen-2-yloxyacetate
CID 4095400
(4-acetamidophenyl) 2-(4-cyanophenoxy)acetate
CID 26681952
(4-cyanophenyl) 2-(2-cyanophenoxy)acetate
CID 4810644
(4-acetamidophenyl) 2-(4-chlorophenoxy)acetate
CID 4938690
(4-cyanophenyl) propanoate
CID 643285
(2-amino-2-oxoethyl) 2-(4-cyanophenoxy)acetate
CID 2098514
(4-cyanophenyl) 6-chlorohexanoate
CID 532385
4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]benzonitrile
CID 7818712
[4-(4-cyanophenyl)phenyl] 2-(3-acetylphenoxy)acetate
CID 7937393
(4-chlorophenyl) 2-methoxyacetate
CID 849221

Frequently Asked Questions

What is the IUPAC name of (4-cyanophenyl) 2-(4-chlorophenoxy)acetate?
The IUPAC name of (4-cyanophenyl) 2-(4-chlorophenoxy)acetate (CID 4810628) is (4-cyanophenyl) 2-(4-chlorophenoxy)acetate.
What is the SMILES notation for (4-cyanophenyl) 2-(4-chlorophenoxy)acetate?
The canonical SMILES for (4-cyanophenyl) 2-(4-chlorophenoxy)acetate is N#Cc1ccc(OC(=O)COc2ccc(Cl)cc2)cc1.
What is the InChIKey of (4-cyanophenyl) 2-(4-chlorophenoxy)acetate?
The InChIKey is QYTSHDSHYYOCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO3/c16-12-3-7-13(8-4-12)19-10-15(18)20-14-5-1-11(9-17)2-6-14/h1-8H,10H2.
What are the key properties of (4-cyanophenyl) 2-(4-chlorophenoxy)acetate?
(4-cyanophenyl) 2-(4-chlorophenoxy)acetate has a molecular weight of 287.70 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyanophenyl) 2-(4-chlorophenoxy)acetate is sourced from PubChem (CID 4810628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).