5-amino-2-(4-propoxyphenoxy)benzoic acid

C16H17NO4 — CID 60987362

IUPAC5-amino-2-(4-propoxyphenoxy)benzoic acid
SMILESCCCOc1ccc(Oc2ccc(N)cc2C(=O)O)cc1
InChIInChI=1S/C16H17NO4/c1-2-9-20-12-4-6-13(7-5-12)21-15-8-3-11(17)10-14(15)16(18)19/h3-8,10H,2,9,17H2,1H3,(H,18,19)
InChIKeySVPFMUFAINWEEW-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.55
Rot. Bonds6

About 5-amino-2-(4-propoxyphenoxy)benzoic acid

5-amino-2-(4-propoxyphenoxy)benzoic acid (PubChem CID 60987362) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-amino-2-(4-propoxyphenoxy)benzoic acid.

Molecular Properties

Compound Name5-amino-2-(4-propoxyphenoxy)benzoic acid
PubChem CID60987362
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name5-amino-2-(4-propoxyphenoxy)benzoic acid
SMILESCCCOc1ccc(Oc2ccc(N)cc2C(=O)O)cc1
InChIInChI=1S/C16H17NO4/c1-2-9-20-12-4-6-13(7-5-12)21-15-8-3-11(17)10-14(15)16(18)19/h3-8,10H,2,9,17H2,1H3,(H,18,19)
InChIKeySVPFMUFAINWEEW-UHFFFAOYSA-N
XLogP3.55
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.55
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

5-amino-2-[4-(4-amino-2-carboxyphenoxy)phenoxy]benzoic acid
CID 139816343
2-amino-5-propoxybenzoic acid
CID 12719187
5-amino-2-(4-propan-2-ylphenoxy)benzoic acid
CID 60988094
5-amino-2-(3-ethoxyphenoxy)benzoic acid
CID 62338276
5-amino-2-propoxycarbonyloxybenzoic acid
CID 139745149
2-methoxy-5-propoxybenzoic acid
CID 82265622
5-amino-2-[4-(trifluoromethyl)phenoxy]benzoic acid
CID 60987032
2-(4-aminophenoxy)-5-[[4-(4-aminophenoxy)-3-carboxyphenyl]methyl]benzoic acid
CID 18381152
1-(5-amino-2-phenoxyphenyl)propan-1-one
CID 174383194
benzene-1,4-diamine;2,5-bis[2-(2-propoxyethoxy)ethoxy]terephthalic acid
CID 90762646
5-amino-2-(3-methylphenoxy)benzoic acid
CID 54887826
4-amino-2-nonoxybenzoic acid
CID 106954713

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-propoxyphenoxy)benzoic acid?
The IUPAC name of 5-amino-2-(4-propoxyphenoxy)benzoic acid (CID 60987362) is 5-amino-2-(4-propoxyphenoxy)benzoic acid.
What is the SMILES notation for 5-amino-2-(4-propoxyphenoxy)benzoic acid?
The canonical SMILES for 5-amino-2-(4-propoxyphenoxy)benzoic acid is CCCOc1ccc(Oc2ccc(N)cc2C(=O)O)cc1.
What is the InChIKey of 5-amino-2-(4-propoxyphenoxy)benzoic acid?
The InChIKey is SVPFMUFAINWEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-2-9-20-12-4-6-13(7-5-12)21-15-8-3-11(17)10-14(15)16(18)19/h3-8,10H,2,9,17H2,1H3,(H,18,19).
What are the key properties of 5-amino-2-(4-propoxyphenoxy)benzoic acid?
5-amino-2-(4-propoxyphenoxy)benzoic acid has a molecular weight of 287.32 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-propoxyphenoxy)benzoic acid is sourced from PubChem (CID 60987362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).