methyl 2-amino-3-[2-(2-hydroxyethyl)phenoxy]benzoate

C16H17NO4 — CID 107713839

IUPACmethyl 2-amino-3-[2-(2-hydroxyethyl)phenoxy]benzoate
SMILESCOC(=O)c1cccc(Oc2ccccc2CCO)c1N
InChIInChI=1S/C16H17NO4/c1-20-16(19)12-6-4-8-14(15(12)17)21-13-7-3-2-5-11(13)9-10-18/h2-8,18H,9-10,17H2,1H3
InChIKeyCIQXSQZBGOQFTE-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.38
Rot. Bonds5

About methyl 2-amino-3-[2-(2-hydroxyethyl)phenoxy]benzoate

methyl 2-amino-3-[2-(2-hydroxyethyl)phenoxy]benzoate (PubChem CID 107713839) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is methyl 2-amino-3-[2-(2-hydroxyethyl)phenoxy]benzoate.

Molecular Properties

Compound Namemethyl 2-amino-3-[2-(2-hydroxyethyl)phenoxy]benzoate
PubChem CID107713839
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Namemethyl 2-amino-3-[2-(2-hydroxyethyl)phenoxy]benzoate
SMILESCOC(=O)c1cccc(Oc2ccccc2CCO)c1N
InChIInChI=1S/C16H17NO4/c1-20-16(19)12-6-4-8-14(15(12)17)21-13-7-3-2-5-11(13)9-10-18/h2-8,18H,9-10,17H2,1H3
InChIKeyCIQXSQZBGOQFTE-UHFFFAOYSA-N
XLogP2.38
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-amino-2-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboxylate
CID 107713848
2-[2-(2-amino-3-ethoxyphenoxy)phenyl]ethanol
CID 107711901
methyl 2-amino-3-prop-1-en-2-yloxybenzoate
CID 147554214
methyl 2-amino-3-butoxybenzoate
CID 61039982
methyl 2-amino-3-[3-(methoxymethyl)phenoxy]benzoate
CID 115547292
methyl 2-amino-3-(2-ethylanilino)benzoate
CID 115544520
2-[2-(2-hydroxyethyl)phenoxy]-4-methylbenzamide
CID 107713704
4-amino-3-[2-(2-hydroxyethyl)phenoxy]-N-methylbenzamide
CID 107711871
methyl 2-amino-3-(2-amino-3-methoxycarbonylphenyl)benzoate
CID 167435975
methyl 2-amino-3-(2-ethoxyethoxy)benzoate
CID 115546997
1-[2-amino-4-[2-(2-hydroxyethyl)phenoxy]phenyl]ethanone
CID 107711840
methyl 2-amino-3-propanoylbenzoate
CID 134648415

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[2-(2-hydroxyethyl)phenoxy]benzoate?
The IUPAC name of methyl 2-amino-3-[2-(2-hydroxyethyl)phenoxy]benzoate (CID 107713839) is methyl 2-amino-3-[2-(2-hydroxyethyl)phenoxy]benzoate.
What is the SMILES notation for methyl 2-amino-3-[2-(2-hydroxyethyl)phenoxy]benzoate?
The canonical SMILES for methyl 2-amino-3-[2-(2-hydroxyethyl)phenoxy]benzoate is COC(=O)c1cccc(Oc2ccccc2CCO)c1N.
What is the InChIKey of methyl 2-amino-3-[2-(2-hydroxyethyl)phenoxy]benzoate?
The InChIKey is CIQXSQZBGOQFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-20-16(19)12-6-4-8-14(15(12)17)21-13-7-3-2-5-11(13)9-10-18/h2-8,18H,9-10,17H2,1H3.
What are the key properties of methyl 2-amino-3-[2-(2-hydroxyethyl)phenoxy]benzoate?
methyl 2-amino-3-[2-(2-hydroxyethyl)phenoxy]benzoate has a molecular weight of 287.32 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-[2-(2-hydroxyethyl)phenoxy]benzoate is sourced from PubChem (CID 107713839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).