ethyl 2-[4-(4-aminophenoxy)-2,5-dichlorophenyl]acetate

C16H15Cl2NO3 — CID 89159446

IUPACethyl 2-[4-(4-aminophenoxy)-2,5-dichlorophenyl]acetate
SMILESCCOC(=O)Cc1cc(Cl)c(Oc2ccc(N)cc2)cc1Cl
InChIInChI=1S/C16H15Cl2NO3/c1-2-21-16(20)8-10-7-14(18)15(9-13(10)17)22-12-5-3-11(19)4-6-12/h3-7,9H,2,8,19H2,1H3
InChIKeyPXABDHVRKVZNSP-UHFFFAOYSA-N
MW340.21 g/mol
LogP4.47
Rot. Bonds5

About ethyl 2-[4-(4-aminophenoxy)-2,5-dichlorophenyl]acetate

ethyl 2-[4-(4-aminophenoxy)-2,5-dichlorophenyl]acetate (PubChem CID 89159446) has the molecular formula C16H15Cl2NO3 and a molecular weight of 340.21 g/mol. Its IUPAC name is ethyl 2-[4-(4-aminophenoxy)-2,5-dichlorophenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(4-aminophenoxy)-2,5-dichlorophenyl]acetate
PubChem CID89159446
Molecular FormulaC16H15Cl2NO3
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC Nameethyl 2-[4-(4-aminophenoxy)-2,5-dichlorophenyl]acetate
SMILESCCOC(=O)Cc1cc(Cl)c(Oc2ccc(N)cc2)cc1Cl
InChIInChI=1S/C16H15Cl2NO3/c1-2-21-16(20)8-10-7-14(18)15(9-13(10)17)22-12-5-3-11(19)4-6-12/h3-7,9H,2,8,19H2,1H3
InChIKeyPXABDHVRKVZNSP-UHFFFAOYSA-N
XLogP4.47
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(4,5-dichloro-2-methoxyphenyl)acetate
CID 82553976
ethyl 2-[4-(4-amino-3-methylphenoxy)-3-chlorophenyl]acetate
CID 89159471
ethyl 2-(2,5-dichloro-4-formylphenyl)acetate
CID 171006251
ethyl 2-[4,5-dichloro-2-(chloromethyl)phenyl]acetate
CID 171005942
ethyl 2-(5-chloro-2-fluoro-4-methylphenyl)acetate
CID 134614344
4-(2-chloro-4-ethylphenoxy)aniline
CID 22413866
ethyl 2-(3,4-dichloro-2-hydroxyphenyl)acetate
CID 171030260
ethyl 2-(4-amino-2-bromophenyl)acetate
CID 170997064
ethyl 2-(5-amino-2-iodophenyl)acetate
CID 134638544
ethyl 2-[2-chloro-4-(trifluoromethyl)phenyl]acetate
CID 146013675
ethyl 2-[5-(bromomethyl)-2-chloro-4-(difluoromethoxy)phenyl]acetate
CID 171012483
ethyl 6-(4-aminophenoxy)-5-chloropyridine-3-carboxylate
CID 121281075

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(4-aminophenoxy)-2,5-dichlorophenyl]acetate?
The IUPAC name of ethyl 2-[4-(4-aminophenoxy)-2,5-dichlorophenyl]acetate (CID 89159446) is ethyl 2-[4-(4-aminophenoxy)-2,5-dichlorophenyl]acetate.
What is the SMILES notation for ethyl 2-[4-(4-aminophenoxy)-2,5-dichlorophenyl]acetate?
The canonical SMILES for ethyl 2-[4-(4-aminophenoxy)-2,5-dichlorophenyl]acetate is CCOC(=O)Cc1cc(Cl)c(Oc2ccc(N)cc2)cc1Cl.
What is the InChIKey of ethyl 2-[4-(4-aminophenoxy)-2,5-dichlorophenyl]acetate?
The InChIKey is PXABDHVRKVZNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO3/c1-2-21-16(20)8-10-7-14(18)15(9-13(10)17)22-12-5-3-11(19)4-6-12/h3-7,9H,2,8,19H2,1H3.
What are the key properties of ethyl 2-[4-(4-aminophenoxy)-2,5-dichlorophenyl]acetate?
ethyl 2-[4-(4-aminophenoxy)-2,5-dichlorophenyl]acetate has a molecular weight of 340.21 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(4-aminophenoxy)-2,5-dichlorophenyl]acetate is sourced from PubChem (CID 89159446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).