methyl 2-(3-amino-4-chlorophenoxy)acetate

C9H10ClNO3 — CID 66717604

IUPACmethyl 2-(3-amino-4-chlorophenoxy)acetate
SMILESCOC(=O)COc1ccc(Cl)c(N)c1
InChIInChI=1S/C9H10ClNO3/c1-13-9(12)5-14-6-2-3-7(10)8(11)4-6/h2-4H,5,11H2,1H3
InChIKeyBNWMBAKERONWEE-UHFFFAOYSA-N
MW215.64 g/mol
LogP1.47
Rot. Bonds3

About methyl 2-(3-amino-4-chlorophenoxy)acetate

methyl 2-(3-amino-4-chlorophenoxy)acetate (PubChem CID 66717604) has the molecular formula C9H10ClNO3 and a molecular weight of 215.64 g/mol. Its IUPAC name is methyl 2-(3-amino-4-chlorophenoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(3-amino-4-chlorophenoxy)acetate
PubChem CID66717604
Molecular FormulaC9H10ClNO3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC Namemethyl 2-(3-amino-4-chlorophenoxy)acetate
SMILESCOC(=O)COc1ccc(Cl)c(N)c1
InChIInChI=1S/C9H10ClNO3/c1-13-9(12)5-14-6-2-3-7(10)8(11)4-6/h2-4H,5,11H2,1H3
InChIKeyBNWMBAKERONWEE-UHFFFAOYSA-N
XLogP1.47
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 51.47
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

methyl 2-[4-chloro-3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 5312098
methyl 2-(4-bromo-3-chlorophenoxy)acetate
CID 171692268
methyl 2-(3-chloro-4-fluorophenoxy)acetate
CID 43235932
methyl 2-(3-chloro-4-sulfanylphenoxy)acetate
CID 57256589
methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 6420588
methyl 2-[3-amino-5-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 21029862
methyl 2-[(6-chloro-3-pyridinyl)oxy]acetate
CID 86099194
methyl 2-(7-methoxynaphthalen-2-yl)oxyacetate
CID 156858982
(3-amino-4-chlorophenyl) butaneperoxoate
CID 174747534
methyl 2-(2-amino-4-chloro-5-methoxyphenoxy)acetate
CID 89053253
(4-chloro-3-methylphenyl) 2-(4-chloro-3-methylphenoxy)acetate
CID 700512
methyl 2-(4-sulfanylphenoxy)acetate
CID 20770833

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-amino-4-chlorophenoxy)acetate?
The IUPAC name of methyl 2-(3-amino-4-chlorophenoxy)acetate (CID 66717604) is methyl 2-(3-amino-4-chlorophenoxy)acetate.
What is the SMILES notation for methyl 2-(3-amino-4-chlorophenoxy)acetate?
The canonical SMILES for methyl 2-(3-amino-4-chlorophenoxy)acetate is COC(=O)COc1ccc(Cl)c(N)c1.
What is the InChIKey of methyl 2-(3-amino-4-chlorophenoxy)acetate?
The InChIKey is BNWMBAKERONWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3/c1-13-9(12)5-14-6-2-3-7(10)8(11)4-6/h2-4H,5,11H2,1H3.
What are the key properties of methyl 2-(3-amino-4-chlorophenoxy)acetate?
methyl 2-(3-amino-4-chlorophenoxy)acetate has a molecular weight of 215.64 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-amino-4-chlorophenoxy)acetate is sourced from PubChem (CID 66717604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).