5-(4-aminophenoxy)-2-[4-(4-aminophenoxy)-2-hydroxyphenyl]benzoic acid

C25H20N2O5 — CID 175703106

IUPAC5-(4-aminophenoxy)-2-[4-(4-aminophenoxy)-2-hydroxyphenyl]benzoic acid
SMILESNc1ccc(Oc2ccc(-c3ccc(Oc4ccc(N)cc4)cc3C(=O)O)c(O)c2)cc1
InChIInChI=1S/C25H20N2O5/c26-15-1-5-17(6-2-15)31-19-9-11-21(23(13-19)25(29)30)22-12-10-20(14-24(22)28)32-18-7-3-16(27)4-8-18/h1-14,28H,26-27H2,(H,29,30)
InChIKeyQMRJQUJVTBABEP-UHFFFAOYSA-N
MW428.44 g/mol
LogP5.51
Rot. Bonds6

About 5-(4-aminophenoxy)-2-[4-(4-aminophenoxy)-2-hydroxyphenyl]benzoic acid

5-(4-aminophenoxy)-2-[4-(4-aminophenoxy)-2-hydroxyphenyl]benzoic acid (PubChem CID 175703106) has the molecular formula C25H20N2O5 and a molecular weight of 428.44 g/mol. Its IUPAC name is 5-(4-aminophenoxy)-2-[4-(4-aminophenoxy)-2-hydroxyphenyl]benzoic acid.

Molecular Properties

Compound Name5-(4-aminophenoxy)-2-[4-(4-aminophenoxy)-2-hydroxyphenyl]benzoic acid
PubChem CID175703106
Molecular FormulaC25H20N2O5
Molecular Weight428.44 g/mol
Exact Mass428.14
IUPAC Name5-(4-aminophenoxy)-2-[4-(4-aminophenoxy)-2-hydroxyphenyl]benzoic acid
SMILESNc1ccc(Oc2ccc(-c3ccc(Oc4ccc(N)cc4)cc3C(=O)O)c(O)c2)cc1
InChIInChI=1S/C25H20N2O5/c26-15-1-5-17(6-2-15)31-19-9-11-21(23(13-19)25(29)30)22-12-10-20(14-24(22)28)32-18-7-3-16(27)4-8-18/h1-14,28H,26-27H2,(H,29,30)
InChIKeyQMRJQUJVTBABEP-UHFFFAOYSA-N
XLogP5.51
TPSA128.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.44
LogP ≤ 55.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-aminophenoxy)benzene-1,2-diol;3,4-dihydroxybenzoic acid
CID 69010331
[5-(4-aminophenoxy)-2-[4-(4-aminophenoxy)-2-(4-methoxybenzoyl)phenyl]phenyl]-(4-methoxyphenyl)methanone
CID 154631055
4-[3,5-bis(4-aminophenoxy)phenoxy]-2-methoxycarbonylbenzoic acid
CID 101018692
bis(5-amino-2-(4-amino-2-carboxyphenyl)benzoic acid);hydrate
CID 174768494
5-(4-aminophenoxy)-2-chlorophenol
CID 129011714
2-hydroxy-4-(4-iodophenoxy)benzoic acid
CID 164953547
2-amino-5-(4-iodophenoxy)benzoic acid
CID 60987724
5-amino-2-[4-(4-amino-2-carboxyphenoxy)phenoxy]benzoic acid
CID 139816343
2-amino-5-(4-carbamoylphenoxy)benzoic acid
CID 60986679
4-[4-(4-aminophenoxy)-2-fluorophenyl]benzoic acid
CID 142325651
4-(4-aminophenoxy)aniline
CID 161415647
4-(4-amino-2-hydroxybenzoyl)oxy-2-hydroxybenzoic acid
CID 57080181

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminophenoxy)-2-[4-(4-aminophenoxy)-2-hydroxyphenyl]benzoic acid?
The IUPAC name of 5-(4-aminophenoxy)-2-[4-(4-aminophenoxy)-2-hydroxyphenyl]benzoic acid (CID 175703106) is 5-(4-aminophenoxy)-2-[4-(4-aminophenoxy)-2-hydroxyphenyl]benzoic acid.
What is the SMILES notation for 5-(4-aminophenoxy)-2-[4-(4-aminophenoxy)-2-hydroxyphenyl]benzoic acid?
The canonical SMILES for 5-(4-aminophenoxy)-2-[4-(4-aminophenoxy)-2-hydroxyphenyl]benzoic acid is Nc1ccc(Oc2ccc(-c3ccc(Oc4ccc(N)cc4)cc3C(=O)O)c(O)c2)cc1.
What is the InChIKey of 5-(4-aminophenoxy)-2-[4-(4-aminophenoxy)-2-hydroxyphenyl]benzoic acid?
The InChIKey is QMRJQUJVTBABEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O5/c26-15-1-5-17(6-2-15)31-19-9-11-21(23(13-19)25(29)30)22-12-10-20(14-24(22)28)32-18-7-3-16(27)4-8-18/h1-14,28H,26-27H2,(H,29,30).
What are the key properties of 5-(4-aminophenoxy)-2-[4-(4-aminophenoxy)-2-hydroxyphenyl]benzoic acid?
5-(4-aminophenoxy)-2-[4-(4-aminophenoxy)-2-hydroxyphenyl]benzoic acid has a molecular weight of 428.44 g/mol, XLogP of 5.51, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminophenoxy)-2-[4-(4-aminophenoxy)-2-hydroxyphenyl]benzoic acid is sourced from PubChem (CID 175703106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).