4-(2-aminophenoxy)-3-methoxybenzoic acid

C14H13NO4 — CID 69280746

IUPAC4-(2-aminophenoxy)-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1Oc1ccccc1N
InChIInChI=1S/C14H13NO4/c1-18-13-8-9(14(16)17)6-7-12(13)19-11-5-3-2-4-10(11)15/h2-8H,15H2,1H3,(H,16,17)
InChIKeyNZLNQFLBSPMDCR-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.77
Rot. Bonds4

About 4-(2-aminophenoxy)-3-methoxybenzoic acid

4-(2-aminophenoxy)-3-methoxybenzoic acid (PubChem CID 69280746) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 4-(2-aminophenoxy)-3-methoxybenzoic acid.

Molecular Properties

Compound Name4-(2-aminophenoxy)-3-methoxybenzoic acid
PubChem CID69280746
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name4-(2-aminophenoxy)-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1Oc1ccccc1N
InChIInChI=1S/C14H13NO4/c1-18-13-8-9(14(16)17)6-7-12(13)19-11-5-3-2-4-10(11)15/h2-8H,15H2,1H3,(H,16,17)
InChIKeyNZLNQFLBSPMDCR-UHFFFAOYSA-N
XLogP2.77
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.77
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

4-amino-3-methoxybenzoic acid;ethane
CID 91282219
4-(2-methoxyphenoxy)-3-methylbenzoic acid
CID 62120451
4-[5-(4-carboxy-2-methoxyphenoxy)pentoxy]-3-methoxybenzoic acid
CID 15329160
4-[3-(4-carboxy-2-methoxyphenoxy)propoxy]-3-methoxybenzoic acid
CID 11132553
3,4-dimethoxybenzoic acid;methanol
CID 144580050
3-amino-4-(2-tert-butylphenoxy)benzoic acid
CID 63423267
4-(4-fluorophenoxy)-3-methoxybenzoic acid
CID 170440931
4-amino-3-(2-methoxyphenyl)benzoic acid
CID 82293590
2-(2-aminophenoxy)-1-(3,4-dimethoxyphenyl)propan-1-one
CID 46307410
3-methoxy-4-(2-phenylethoxy)benzoic acid
CID 18070578
4-(2-amino-5-fluorophenoxy)-3-methoxybenzamide
CID 62376981
3-amino-4-methoxybenzoic acid;3,4-dimethoxyaniline
CID 158690022

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminophenoxy)-3-methoxybenzoic acid?
The IUPAC name of 4-(2-aminophenoxy)-3-methoxybenzoic acid (CID 69280746) is 4-(2-aminophenoxy)-3-methoxybenzoic acid.
What is the SMILES notation for 4-(2-aminophenoxy)-3-methoxybenzoic acid?
The canonical SMILES for 4-(2-aminophenoxy)-3-methoxybenzoic acid is COc1cc(C(=O)O)ccc1Oc1ccccc1N.
What is the InChIKey of 4-(2-aminophenoxy)-3-methoxybenzoic acid?
The InChIKey is NZLNQFLBSPMDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-18-13-8-9(14(16)17)6-7-12(13)19-11-5-3-2-4-10(11)15/h2-8H,15H2,1H3,(H,16,17).
What are the key properties of 4-(2-aminophenoxy)-3-methoxybenzoic acid?
4-(2-aminophenoxy)-3-methoxybenzoic acid has a molecular weight of 259.26 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminophenoxy)-3-methoxybenzoic acid is sourced from PubChem (CID 69280746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).