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

C14H12ClNO3 — CID 71517872

IUPACmethyl 4-amino-2-(3-chlorophenoxy)benzoate
SMILESCOC(=O)c1ccc(N)cc1Oc1cccc(Cl)c1
InChIInChI=1S/C14H12ClNO3/c1-18-14(17)12-6-5-10(16)8-13(12)19-11-4-2-3-9(15)7-11/h2-8H,16H2,1H3
InChIKeyHOJXAGXSHQUICB-UHFFFAOYSA-N
MW277.71 g/mol
LogP3.50
Rot. Bonds3

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

methyl 4-amino-2-(3-chlorophenoxy)benzoate (PubChem CID 71517872) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is methyl 4-amino-2-(3-chlorophenoxy)benzoate.

Molecular Properties

Compound Namemethyl 4-amino-2-(3-chlorophenoxy)benzoate
PubChem CID71517872
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Namemethyl 4-amino-2-(3-chlorophenoxy)benzoate
SMILESCOC(=O)c1ccc(N)cc1Oc1cccc(Cl)c1
InChIInChI=1S/C14H12ClNO3/c1-18-14(17)12-6-5-10(16)8-13(12)19-11-4-2-3-9(15)7-11/h2-8H,16H2,1H3
InChIKeyHOJXAGXSHQUICB-UHFFFAOYSA-N
XLogP3.50
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 53.50
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-(3-chlorophenoxy)-4-piperazin-1-ylbenzoate
CID 67226117
methyl 5-amino-2-(3-methoxycarbonylphenoxy)benzoate
CID 22731359
methyl 5-amino-2-(3-fluorophenoxy)benzoate
CID 61307733
methyl 5-amino-2-phenoxybenzoate
CID 23019285
2-(3-chlorophenoxy)-4-methylbenzoic acid
CID 55107381
methyl 2-(3,5-dichlorophenoxy)benzoate
CID 15036758
methyl 3-(2-amino-4-chlorophenoxy)benzoate
CID 26189305
methyl 5-amino-2-[3-(methoxymethyl)phenoxy]benzoate
CID 63986850
methyl 4-amino-2-[(3-methoxyphenyl)methoxy]benzoate
CID 106954943
methyl 5-amino-2-chlorobenzoate
CID 5200412
3-(3-chlorophenoxy)-4-(2,4-dimethylazet-1-ium-1-yl)aniline
CID 123936350
methyl 4-amino-2-(1-methoxy-1-oxopropan-2-yl)oxybenzoate
CID 106955156

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-(3-chlorophenoxy)benzoate?
The IUPAC name of methyl 4-amino-2-(3-chlorophenoxy)benzoate (CID 71517872) is methyl 4-amino-2-(3-chlorophenoxy)benzoate.
What is the SMILES notation for methyl 4-amino-2-(3-chlorophenoxy)benzoate?
The canonical SMILES for methyl 4-amino-2-(3-chlorophenoxy)benzoate is COC(=O)c1ccc(N)cc1Oc1cccc(Cl)c1.
What is the InChIKey of methyl 4-amino-2-(3-chlorophenoxy)benzoate?
The InChIKey is HOJXAGXSHQUICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c1-18-14(17)12-6-5-10(16)8-13(12)19-11-4-2-3-9(15)7-11/h2-8H,16H2,1H3.
What are the key properties of methyl 4-amino-2-(3-chlorophenoxy)benzoate?
methyl 4-amino-2-(3-chlorophenoxy)benzoate has a molecular weight of 277.71 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-(3-chlorophenoxy)benzoate is sourced from PubChem (CID 71517872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).