5-amino-2-(3-methylphenoxy)benzoic acid

C14H13NO3 — CID 54887826

IUPAC5-amino-2-(3-methylphenoxy)benzoic acid
SMILESCc1cccc(Oc2ccc(N)cc2C(=O)O)c1
InChIInChI=1S/C14H13NO3/c1-9-3-2-4-11(7-9)18-13-6-5-10(15)8-12(13)14(16)17/h2-8H,15H2,1H3,(H,16,17)
InChIKeyQQIIQCNSDQKCKP-UHFFFAOYSA-N
MW243.26 g/mol
LogP3.07
Rot. Bonds3

About 5-amino-2-(3-methylphenoxy)benzoic acid

5-amino-2-(3-methylphenoxy)benzoic acid (PubChem CID 54887826) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 5-amino-2-(3-methylphenoxy)benzoic acid.

Molecular Properties

Compound Name5-amino-2-(3-methylphenoxy)benzoic acid
PubChem CID54887826
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name5-amino-2-(3-methylphenoxy)benzoic acid
SMILESCc1cccc(Oc2ccc(N)cc2C(=O)O)c1
InChIInChI=1S/C14H13NO3/c1-9-3-2-4-11(7-9)18-13-6-5-10(15)8-12(13)14(16)17/h2-8H,15H2,1H3,(H,16,17)
InChIKeyQQIIQCNSDQKCKP-UHFFFAOYSA-N
XLogP3.07
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-amino-2-(3-methylphenoxy)benzoate
CID 61305399
5-amino-2-(3-ethoxyphenoxy)benzoic acid
CID 62338276
5-amino-2-[4-(4-amino-2-carboxyphenoxy)phenoxy]benzoic acid
CID 139816343
2-(3,5-dimethylphenoxy)-5-methylbenzoic acid
CID 55192437
5-amino-2-(2-bromo-4-methylphenoxy)benzoic acid
CID 54888290
4-bromo-2-(3-methylphenoxy)benzoic acid
CID 43364853
3-amino-2-(3-methylphenoxy)benzoic acid
CID 112579601
2-(3-methylphenoxy)benzamide
CID 70968841
3-bromo-4-(3-methylphenoxy)benzoic acid
CID 82801842
5-amino-2-(4-propan-2-ylphenoxy)benzoic acid
CID 60988094
4-fluoro-2-(3-methylphenoxy)benzoic acid
CID 22408591
methyl 5-amino-2-phenoxybenzoate
CID 23019285

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-methylphenoxy)benzoic acid?
The IUPAC name of 5-amino-2-(3-methylphenoxy)benzoic acid (CID 54887826) is 5-amino-2-(3-methylphenoxy)benzoic acid.
What is the SMILES notation for 5-amino-2-(3-methylphenoxy)benzoic acid?
The canonical SMILES for 5-amino-2-(3-methylphenoxy)benzoic acid is Cc1cccc(Oc2ccc(N)cc2C(=O)O)c1.
What is the InChIKey of 5-amino-2-(3-methylphenoxy)benzoic acid?
The InChIKey is QQIIQCNSDQKCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-9-3-2-4-11(7-9)18-13-6-5-10(15)8-12(13)14(16)17/h2-8H,15H2,1H3,(H,16,17).
What are the key properties of 5-amino-2-(3-methylphenoxy)benzoic acid?
5-amino-2-(3-methylphenoxy)benzoic acid has a molecular weight of 243.26 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-methylphenoxy)benzoic acid is sourced from PubChem (CID 54887826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).