ethyl 2-(4-amino-3-chloro-5-methoxyphenyl)acetate

C11H14ClNO3 — CID 121224675

IUPACethyl 2-(4-amino-3-chloro-5-methoxyphenyl)acetate
SMILESCCOC(=O)Cc1cc(Cl)c(N)c(OC)c1
InChIInChI=1S/C11H14ClNO3/c1-3-16-10(14)6-7-4-8(12)11(13)9(5-7)15-2/h4-5H,3,6,13H2,1-2H3
InChIKeyOMOGPDHIXDDKHX-UHFFFAOYSA-N
MW243.69 g/mol
LogP2.04
Rot. Bonds4

About ethyl 2-(4-amino-3-chloro-5-methoxyphenyl)acetate

ethyl 2-(4-amino-3-chloro-5-methoxyphenyl)acetate (PubChem CID 121224675) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is ethyl 2-(4-amino-3-chloro-5-methoxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-amino-3-chloro-5-methoxyphenyl)acetate
PubChem CID121224675
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Nameethyl 2-(4-amino-3-chloro-5-methoxyphenyl)acetate
SMILESCCOC(=O)Cc1cc(Cl)c(N)c(OC)c1
InChIInChI=1S/C11H14ClNO3/c1-3-16-10(14)6-7-4-8(12)11(13)9(5-7)15-2/h4-5H,3,6,13H2,1-2H3
InChIKeyOMOGPDHIXDDKHX-UHFFFAOYSA-N
XLogP2.04
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-3-chloro-5-methoxyphenyl)acetic acid
CID 91620100
ethyl 2-(4,5-dichloro-2-methoxyphenyl)acetate
CID 82553976
ethyl 2-(2-amino-6-chloro-3-methoxyphenyl)acetate
CID 171021744
ethyl 2-(4-acetyl-3-chlorophenyl)acetate
CID 121231968
ethyl 2-[3-(bromomethyl)-5-chloro-4-methylphenyl]acetate
CID 171013266
ethyl 2-(3-methoxy-4-methylsulfanylphenyl)acetate
CID 91881387
ethyl 2-[5-(bromomethyl)-3-chloro-2-methylphenyl]acetate
CID 171012881
ethyl 2-[2-bromo-5-(bromomethyl)-3-methoxyphenyl]acetate
CID 171006243
ethyl 2-(5-chloro-2-formyl-4-methoxyphenyl)acetate
CID 171005430
ethyl 2-[3-chloro-5-fluoro-4-(trifluoromethyl)phenyl]acetate
CID 171030043
ethyl 2-(3-chloro-5-fluoro-4-formylphenyl)acetate
CID 171005609
ethyl 2-(3-chloro-5-cyano-4-fluorophenyl)acetate
CID 134655085

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-amino-3-chloro-5-methoxyphenyl)acetate?
The IUPAC name of ethyl 2-(4-amino-3-chloro-5-methoxyphenyl)acetate (CID 121224675) is ethyl 2-(4-amino-3-chloro-5-methoxyphenyl)acetate.
What is the SMILES notation for ethyl 2-(4-amino-3-chloro-5-methoxyphenyl)acetate?
The canonical SMILES for ethyl 2-(4-amino-3-chloro-5-methoxyphenyl)acetate is CCOC(=O)Cc1cc(Cl)c(N)c(OC)c1.
What is the InChIKey of ethyl 2-(4-amino-3-chloro-5-methoxyphenyl)acetate?
The InChIKey is OMOGPDHIXDDKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-3-16-10(14)6-7-4-8(12)11(13)9(5-7)15-2/h4-5H,3,6,13H2,1-2H3.
What are the key properties of ethyl 2-(4-amino-3-chloro-5-methoxyphenyl)acetate?
ethyl 2-(4-amino-3-chloro-5-methoxyphenyl)acetate has a molecular weight of 243.69 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-amino-3-chloro-5-methoxyphenyl)acetate is sourced from PubChem (CID 121224675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).