5-amino-2-[(3-methoxyphenyl)methoxy]benzoic acid

C15H15NO4 — CID 43379967

IUPAC5-amino-2-[(3-methoxyphenyl)methoxy]benzoic acid
SMILESCOc1cccc(COc2ccc(N)cc2C(=O)O)c1
InChIInChI=1S/C15H15NO4/c1-19-12-4-2-3-10(7-12)9-20-14-6-5-11(16)8-13(14)15(17)18/h2-8H,9,16H2,1H3,(H,17,18)
InChIKeyWRAHXRAIIHTLDW-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.55
Rot. Bonds5

About 5-amino-2-[(3-methoxyphenyl)methoxy]benzoic acid

5-amino-2-[(3-methoxyphenyl)methoxy]benzoic acid (PubChem CID 43379967) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 5-amino-2-[(3-methoxyphenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name5-amino-2-[(3-methoxyphenyl)methoxy]benzoic acid
PubChem CID43379967
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name5-amino-2-[(3-methoxyphenyl)methoxy]benzoic acid
SMILESCOc1cccc(COc2ccc(N)cc2C(=O)O)c1
InChIInChI=1S/C15H15NO4/c1-19-12-4-2-3-10(7-12)9-20-14-6-5-11(16)8-13(14)15(17)18/h2-8H,9,16H2,1H3,(H,17,18)
InChIKeyWRAHXRAIIHTLDW-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

methyl 4-amino-2-[(3-methoxyphenyl)methoxy]benzoate
CID 106954943
3-chloro-4-[(3-methoxyphenyl)methoxy]aniline
CID 19626986
3-[(3-methoxyphenyl)methoxy]-4-methylaniline
CID 43520224
methyl 5-amino-2-[(3-bromophenyl)methoxy]benzoate
CID 82831709
3-bromo-2-[(3-methoxyphenyl)methoxy]benzoic acid
CID 61391310
5-amino-2-[(3-methoxyphenyl)methoxy]benzonitrile
CID 55134763
5-amino-2-[(3-bromo-4-fluorophenyl)methoxy]benzoic acid
CID 43379961
3-fluoro-4-[(3-methoxyphenyl)methoxy]benzoic acid
CID 28604689
methyl 2-[(3-methoxyphenyl)methoxy]-5-methylbenzoate
CID 112828222
5-[(3-methoxyphenyl)methoxy]-2-methylbenzoic acid
CID 82165959
5-amino-2-[(2,6-dichlorophenyl)methoxy]benzoic acid
CID 43379989
2-[(4-chlorophenyl)methoxy]-5-methoxybenzoic acid
CID 43212927

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(3-methoxyphenyl)methoxy]benzoic acid?
The IUPAC name of 5-amino-2-[(3-methoxyphenyl)methoxy]benzoic acid (CID 43379967) is 5-amino-2-[(3-methoxyphenyl)methoxy]benzoic acid.
What is the SMILES notation for 5-amino-2-[(3-methoxyphenyl)methoxy]benzoic acid?
The canonical SMILES for 5-amino-2-[(3-methoxyphenyl)methoxy]benzoic acid is COc1cccc(COc2ccc(N)cc2C(=O)O)c1.
What is the InChIKey of 5-amino-2-[(3-methoxyphenyl)methoxy]benzoic acid?
The InChIKey is WRAHXRAIIHTLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-19-12-4-2-3-10(7-12)9-20-14-6-5-11(16)8-13(14)15(17)18/h2-8H,9,16H2,1H3,(H,17,18).
What are the key properties of 5-amino-2-[(3-methoxyphenyl)methoxy]benzoic acid?
5-amino-2-[(3-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 5-amino-2-[(3-methoxyphenyl)methoxy]benzoic acid is sourced from PubChem (CID 43379967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).