4-amino-2-[(2-methoxyphenyl)methoxy]benzoic acid

C15H15NO4 — CID 106954690

IUPAC4-amino-2-[(2-methoxyphenyl)methoxy]benzoic acid
SMILESCOc1ccccc1COc1cc(N)ccc1C(=O)O
InChIInChI=1S/C15H15NO4/c1-19-13-5-3-2-4-10(13)9-20-14-8-11(16)6-7-12(14)15(17)18/h2-8H,9,16H2,1H3,(H,17,18)
InChIKeyLNWMATXCLVGNOL-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.55
Rot. Bonds5

About 4-amino-2-[(2-methoxyphenyl)methoxy]benzoic acid

4-amino-2-[(2-methoxyphenyl)methoxy]benzoic acid (PubChem CID 106954690) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-amino-2-[(2-methoxyphenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name4-amino-2-[(2-methoxyphenyl)methoxy]benzoic acid
PubChem CID106954690
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name4-amino-2-[(2-methoxyphenyl)methoxy]benzoic acid
SMILESCOc1ccccc1COc1cc(N)ccc1C(=O)O
InChIInChI=1S/C15H15NO4/c1-19-13-5-3-2-4-10(13)9-20-14-8-11(16)6-7-12(14)15(17)18/h2-8H,9,16H2,1H3,(H,17,18)
InChIKeyLNWMATXCLVGNOL-UHFFFAOYSA-N
XLogP2.55
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-4-[(2-methoxyphenyl)methoxy]aniline
CID 22112878
2-[2-[(5-amino-2-methoxyphenoxy)methyl]phenyl]acetic acid
CID 115460494
4-amino-2-[(2-cyano-3-pyridinyl)methoxy]benzoic acid
CID 106954817
4-amino-2-[(2,5-dichlorophenyl)methoxy]benzoic acid
CID 106954818
2-[(2-ethoxyphenyl)methoxy]-4-fluorobenzoic acid
CID 107014311
4-amino-2-[(2,6-difluorophenyl)methoxy]benzoic acid
CID 106954932
2-amino-5-[(2-chlorophenyl)methoxy]-4-methoxybenzoic acid
CID 43380062
4-amino-2-[2-(2-methoxyethoxy)ethoxy]benzoic acid
CID 104564131
5-amino-2-[(2-carbamoylphenyl)methoxy]benzoic acid
CID 43379987
4-amino-2-[(3-fluorophenyl)methoxy]benzoic acid
CID 106954877
4-amino-2-[(4-carbamoylphenyl)methoxy]benzoic acid
CID 106954770
2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid
CID 102875972

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(2-methoxyphenyl)methoxy]benzoic acid?
The IUPAC name of 4-amino-2-[(2-methoxyphenyl)methoxy]benzoic acid (CID 106954690) is 4-amino-2-[(2-methoxyphenyl)methoxy]benzoic acid.
What is the SMILES notation for 4-amino-2-[(2-methoxyphenyl)methoxy]benzoic acid?
The canonical SMILES for 4-amino-2-[(2-methoxyphenyl)methoxy]benzoic acid is COc1ccccc1COc1cc(N)ccc1C(=O)O.
What is the InChIKey of 4-amino-2-[(2-methoxyphenyl)methoxy]benzoic acid?
The InChIKey is LNWMATXCLVGNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-19-13-5-3-2-4-10(13)9-20-14-8-11(16)6-7-12(14)15(17)18/h2-8H,9,16H2,1H3,(H,17,18).
What are the key properties of 4-amino-2-[(2-methoxyphenyl)methoxy]benzoic acid?
4-amino-2-[(2-methoxyphenyl)methoxy]benzoic acid has a molecular weight of 273.29 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(2-methoxyphenyl)methoxy]benzoic acid is sourced from PubChem (CID 106954690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).