ethyl 2-[3-chloro-4-(2-chloro-5-cyanophenoxy)phenyl]acetate

C17H13Cl2NO3 — CID 58856155

IUPACethyl 2-[3-chloro-4-(2-chloro-5-cyanophenoxy)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(Oc2cc(C#N)ccc2Cl)c(Cl)c1
InChIInChI=1S/C17H13Cl2NO3/c1-2-22-17(21)9-11-4-6-15(14(19)7-11)23-16-8-12(10-20)3-5-13(16)18/h3-8H,2,9H2,1H3
InChIKeyPQPQYNBZIRBHKK-UHFFFAOYSA-N
MW350.20 g/mol
LogP4.76
Rot. Bonds5

About ethyl 2-[3-chloro-4-(2-chloro-5-cyanophenoxy)phenyl]acetate

ethyl 2-[3-chloro-4-(2-chloro-5-cyanophenoxy)phenyl]acetate (PubChem CID 58856155) has the molecular formula C17H13Cl2NO3 and a molecular weight of 350.20 g/mol. Its IUPAC name is ethyl 2-[3-chloro-4-(2-chloro-5-cyanophenoxy)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-chloro-4-(2-chloro-5-cyanophenoxy)phenyl]acetate
PubChem CID58856155
Molecular FormulaC17H13Cl2NO3
Molecular Weight350.20 g/mol
Exact Mass349.03
IUPAC Nameethyl 2-[3-chloro-4-(2-chloro-5-cyanophenoxy)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(Oc2cc(C#N)ccc2Cl)c(Cl)c1
InChIInChI=1S/C17H13Cl2NO3/c1-2-22-17(21)9-11-4-6-15(14(19)7-11)23-16-8-12(10-20)3-5-13(16)18/h3-8H,2,9H2,1H3
InChIKeyPQPQYNBZIRBHKK-UHFFFAOYSA-N
XLogP4.76
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-(4-amino-3-methylphenoxy)-3-chlorophenyl]acetate
CID 89159471
ethyl 2-[3-chloro-4-(trifluoromethoxy)phenyl]acetate
CID 134632922
ethyl 2-[3-chloro-4-(difluoromethoxy)phenyl]acetate
CID 171028412
3-[2-chloro-4-(chloromethyl)phenoxy]-4-methylbenzonitrile
CID 107659190
ethyl 2-(3-cyano-4-methoxyphenyl)acetate
CID 134652114
(4-cyano-2-ethoxyphenyl) 2-(4-chlorophenyl)acetate
CID 8799991
ethyl 2-[4-(4-bromobutoxy)-3-chlorophenyl]acetate
CID 139659897
(4-cyano-2-ethoxyphenyl) 2-(3,4-dimethylphenyl)acetate
CID 8799809
ethyl 2-[3-chloro-4-[(5-nitro-2-pyridinyl)oxy]phenyl]acetate
CID 70984993
3-chloro-4-(2,5-dichlorophenoxy)benzonitrile
CID 55223268
ethyl 2-[3-chloro-4-[4-[(4-chloro-3-methoxybenzoyl)amino]phenoxy]phenyl]acetate
CID 70984916
ethyl 2-(4-acetyl-3-chlorophenyl)acetate
CID 121231968

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-chloro-4-(2-chloro-5-cyanophenoxy)phenyl]acetate?
The IUPAC name of ethyl 2-[3-chloro-4-(2-chloro-5-cyanophenoxy)phenyl]acetate (CID 58856155) is ethyl 2-[3-chloro-4-(2-chloro-5-cyanophenoxy)phenyl]acetate.
What is the SMILES notation for ethyl 2-[3-chloro-4-(2-chloro-5-cyanophenoxy)phenyl]acetate?
The canonical SMILES for ethyl 2-[3-chloro-4-(2-chloro-5-cyanophenoxy)phenyl]acetate is CCOC(=O)Cc1ccc(Oc2cc(C#N)ccc2Cl)c(Cl)c1.
What is the InChIKey of ethyl 2-[3-chloro-4-(2-chloro-5-cyanophenoxy)phenyl]acetate?
The InChIKey is PQPQYNBZIRBHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO3/c1-2-22-17(21)9-11-4-6-15(14(19)7-11)23-16-8-12(10-20)3-5-13(16)18/h3-8H,2,9H2,1H3.
What are the key properties of ethyl 2-[3-chloro-4-(2-chloro-5-cyanophenoxy)phenyl]acetate?
ethyl 2-[3-chloro-4-(2-chloro-5-cyanophenoxy)phenyl]acetate has a molecular weight of 350.20 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-chloro-4-(2-chloro-5-cyanophenoxy)phenyl]acetate is sourced from PubChem (CID 58856155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).