ethyl 2-(4,5-dichloro-2-methoxyphenyl)acetate

C11H12Cl2O3 — CID 82553976

IUPACethyl 2-(4,5-dichloro-2-methoxyphenyl)acetate
SMILESCCOC(=O)Cc1cc(Cl)c(Cl)cc1OC
InChIInChI=1S/C11H12Cl2O3/c1-3-16-11(14)5-7-4-8(12)9(13)6-10(7)15-2/h4,6H,3,5H2,1-2H3
InChIKeyLOAAQPHRMWVLAD-UHFFFAOYSA-N
MW263.12 g/mol
LogP3.11
Rot. Bonds4

About ethyl 2-(4,5-dichloro-2-methoxyphenyl)acetate

ethyl 2-(4,5-dichloro-2-methoxyphenyl)acetate (PubChem CID 82553976) has the molecular formula C11H12Cl2O3 and a molecular weight of 263.12 g/mol. Its IUPAC name is ethyl 2-(4,5-dichloro-2-methoxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(4,5-dichloro-2-methoxyphenyl)acetate
PubChem CID82553976
Molecular FormulaC11H12Cl2O3
Molecular Weight263.12 g/mol
Exact Mass262.02
IUPAC Nameethyl 2-(4,5-dichloro-2-methoxyphenyl)acetate
SMILESCCOC(=O)Cc1cc(Cl)c(Cl)cc1OC
InChIInChI=1S/C11H12Cl2O3/c1-3-16-11(14)5-7-4-8(12)9(13)6-10(7)15-2/h4,6H,3,5H2,1-2H3
InChIKeyLOAAQPHRMWVLAD-UHFFFAOYSA-N
XLogP3.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4,5-dichloro-2-methoxyphenyl)acetate
CID 82553977
ethyl 2-[4,5-dichloro-2-(chloromethyl)phenyl]acetate
CID 171005942
ethyl 2-(5-chloro-2-formyl-4-methoxyphenyl)acetate
CID 171005430
ethyl 2-(4-hydroxy-2-methoxyphenyl)acetate
CID 105463832
ethyl 2-(4-methanethioyl-2-methoxyphenyl)acetate
CID 23282572
ethyl 2-(4-amino-3-chloro-5-methoxyphenyl)acetate
CID 121224675
ethyl 2-(3-chloro-4-methoxy-2-methylphenyl)acetate
CID 171005875
ethyl 2-(5-methoxy-2-methyl-4-pyridinyl)acetate
CID 5314331
ethyl 2-(4,5-dichloro-2-cyanophenyl)acetate
CID 134654059
ethyl 2-[2-(chloromethyl)-5-methoxy-4-methylphenyl]acetate
CID 171023725
ethyl 2-(2-amino-6-chloro-3-methoxyphenyl)acetate
CID 171021744
ethyl 2-(3-chloro-2-cyano-5-fluorophenyl)acetate
CID 134653093

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4,5-dichloro-2-methoxyphenyl)acetate?
The IUPAC name of ethyl 2-(4,5-dichloro-2-methoxyphenyl)acetate (CID 82553976) is ethyl 2-(4,5-dichloro-2-methoxyphenyl)acetate.
What is the SMILES notation for ethyl 2-(4,5-dichloro-2-methoxyphenyl)acetate?
The canonical SMILES for ethyl 2-(4,5-dichloro-2-methoxyphenyl)acetate is CCOC(=O)Cc1cc(Cl)c(Cl)cc1OC.
What is the InChIKey of ethyl 2-(4,5-dichloro-2-methoxyphenyl)acetate?
The InChIKey is LOAAQPHRMWVLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O3/c1-3-16-11(14)5-7-4-8(12)9(13)6-10(7)15-2/h4,6H,3,5H2,1-2H3.
What are the key properties of ethyl 2-(4,5-dichloro-2-methoxyphenyl)acetate?
ethyl 2-(4,5-dichloro-2-methoxyphenyl)acetate has a molecular weight of 263.12 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4,5-dichloro-2-methoxyphenyl)acetate is sourced from PubChem (CID 82553976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).