(2-chloro-4-cyano-6-ethoxyphenyl) 2-(2-chlorophenoxy)acetate

C17H13Cl2NO4 — CID 8624320

IUPAC(2-chloro-4-cyano-6-ethoxyphenyl) 2-(2-chlorophenoxy)acetate
SMILESCCOc1cc(C#N)cc(Cl)c1OC(=O)COc1ccccc1Cl
InChIInChI=1S/C17H13Cl2NO4/c1-2-22-15-8-11(9-20)7-13(19)17(15)24-16(21)10-23-14-6-4-3-5-12(14)18/h3-8H,2,10H2,1H3
InChIKeyPKGNLIADMJBBJJ-UHFFFAOYSA-N
MW366.20 g/mol
LogP4.25
Rot. Bonds6

About (2-chloro-4-cyano-6-ethoxyphenyl) 2-(2-chlorophenoxy)acetate

(2-chloro-4-cyano-6-ethoxyphenyl) 2-(2-chlorophenoxy)acetate (PubChem CID 8624320) has the molecular formula C17H13Cl2NO4 and a molecular weight of 366.20 g/mol. Its IUPAC name is (2-chloro-4-cyano-6-ethoxyphenyl) 2-(2-chlorophenoxy)acetate.

Molecular Properties

Compound Name(2-chloro-4-cyano-6-ethoxyphenyl) 2-(2-chlorophenoxy)acetate
PubChem CID8624320
Molecular FormulaC17H13Cl2NO4
Molecular Weight366.20 g/mol
Exact Mass365.02
IUPAC Name(2-chloro-4-cyano-6-ethoxyphenyl) 2-(2-chlorophenoxy)acetate
SMILESCCOc1cc(C#N)cc(Cl)c1OC(=O)COc1ccccc1Cl
InChIInChI=1S/C17H13Cl2NO4/c1-2-22-15-8-11(9-20)7-13(19)17(15)24-16(21)10-23-14-6-4-3-5-12(14)18/h3-8H,2,10H2,1H3
InChIKeyPKGNLIADMJBBJJ-UHFFFAOYSA-N
XLogP4.25
TPSA68.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.20
LogP ≤ 54.25
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

(2-chloro-4-cyano-6-ethoxyphenyl) 2-(2,6-dimethylphenoxy)acetate
CID 30870537
3-chloro-4-[2-(2-chlorophenoxy)ethoxy]-5-ethoxybenzonitrile
CID 20987061
(2-chloro-4-cyano-6-ethoxyphenyl) 2-(2-fluorophenyl)acetate
CID 8624307
(2-chloro-4-cyano-6-ethoxyphenyl) 4-fluorobenzoate
CID 8624270
(2-chloro-4-cyano-6-ethoxyphenyl) (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 30870990
(2-chloro-4-cyano-6-ethoxyphenyl) 3-[(2-methylbenzoyl)amino]propanoate
CID 37006827
(2-chloro-4-cyano-6-ethoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 8624286
(2-bromo-4-cyano-6-ethoxyphenyl) 2-(4-cyano-2-ethoxyphenoxy)acetate
CID 24524803
(2-chloro-4-cyano-6-ethoxyphenyl) 3,5-dimethoxybenzoate
CID 8624290
(2-chloro-4-cyano-6-ethoxyphenyl) 2-[4-(difluoromethoxy)phenyl]acetate
CID 33181839
4-[2-(2-chlorophenoxy)ethoxy]-3-ethoxybenzonitrile
CID 2985466
3-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxybenzonitrile
CID 22682990

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-cyano-6-ethoxyphenyl) 2-(2-chlorophenoxy)acetate?
The IUPAC name of (2-chloro-4-cyano-6-ethoxyphenyl) 2-(2-chlorophenoxy)acetate (CID 8624320) is (2-chloro-4-cyano-6-ethoxyphenyl) 2-(2-chlorophenoxy)acetate.
What is the SMILES notation for (2-chloro-4-cyano-6-ethoxyphenyl) 2-(2-chlorophenoxy)acetate?
The canonical SMILES for (2-chloro-4-cyano-6-ethoxyphenyl) 2-(2-chlorophenoxy)acetate is CCOc1cc(C#N)cc(Cl)c1OC(=O)COc1ccccc1Cl.
What is the InChIKey of (2-chloro-4-cyano-6-ethoxyphenyl) 2-(2-chlorophenoxy)acetate?
The InChIKey is PKGNLIADMJBBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO4/c1-2-22-15-8-11(9-20)7-13(19)17(15)24-16(21)10-23-14-6-4-3-5-12(14)18/h3-8H,2,10H2,1H3.
What are the key properties of (2-chloro-4-cyano-6-ethoxyphenyl) 2-(2-chlorophenoxy)acetate?
(2-chloro-4-cyano-6-ethoxyphenyl) 2-(2-chlorophenoxy)acetate has a molecular weight of 366.20 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-cyano-6-ethoxyphenyl) 2-(2-chlorophenoxy)acetate is sourced from PubChem (CID 8624320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).