2,3-bis(4-amino-3-hydroxyphenoxy)benzoic acid

C19H16N2O6 — CID 141051376

IUPAC2,3-bis(4-amino-3-hydroxyphenoxy)benzoic acid
SMILESNc1ccc(Oc2cccc(C(=O)O)c2Oc2ccc(N)c(O)c2)cc1O
InChIInChI=1S/C19H16N2O6/c20-13-6-4-10(8-15(13)22)26-17-3-1-2-12(19(24)25)18(17)27-11-5-7-14(21)16(23)9-11/h1-9,22-23H,20-21H2,(H,24,25)
InChIKeyWITFLDCHOZVXOY-UHFFFAOYSA-N
MW368.35 g/mol
LogP3.55
Rot. Bonds5

About 2,3-bis(4-amino-3-hydroxyphenoxy)benzoic acid

2,3-bis(4-amino-3-hydroxyphenoxy)benzoic acid (PubChem CID 141051376) has the molecular formula C19H16N2O6 and a molecular weight of 368.35 g/mol. Its IUPAC name is 2,3-bis(4-amino-3-hydroxyphenoxy)benzoic acid.

Molecular Properties

Compound Name2,3-bis(4-amino-3-hydroxyphenoxy)benzoic acid
PubChem CID141051376
Molecular FormulaC19H16N2O6
Molecular Weight368.35 g/mol
Exact Mass368.10
IUPAC Name2,3-bis(4-amino-3-hydroxyphenoxy)benzoic acid
SMILESNc1ccc(Oc2cccc(C(=O)O)c2Oc2ccc(N)c(O)c2)cc1O
InChIInChI=1S/C19H16N2O6/c20-13-6-4-10(8-15(13)22)26-17-3-1-2-12(19(24)25)18(17)27-11-5-7-14(21)16(23)9-11/h1-9,22-23H,20-21H2,(H,24,25)
InChIKeyWITFLDCHOZVXOY-UHFFFAOYSA-N
XLogP3.55
TPSA148.26 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 53.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-3-fluorophenoxy)benzoic acid
CID 175103965
2-amino-5-[4-(4-amino-3-carboxyphenoxy)-2,3,5,6-tetrafluorophenoxy]benzoic acid;benzene
CID 158765392
5-(6-carboxynaphthalen-2-yl)oxynaphthalene-1-carboxylic acid
CID 157171420
3,5-bis(4-amino-3-hydroxyphenoxy)benzoic acid;hydrochloride
CID 141051377
3-hydroxy-2-phenoxybenzoic acid
CID 53406644
3-amino-2-(3-methylphenoxy)benzoic acid
CID 112579601
2-amino-5-[2-(4-amino-3-hydroxyphenoxy)-3,4,5,6-tetrafluorophenoxy]phenol
CID 139971174
4-naphthalen-1-yloxyphthalic acid
CID 174697498
2-hydroxy-4-(2-methylphenoxy)benzoic acid
CID 164975487
2-amino-4-[2-(3-amino-4-hydroxyphenoxy)-3-phenylphenoxy]phenol
CID 129308077
5-amino-2-(4-amino-3-hydroxyphenoxy)phenol
CID 66776227
(2,3-diphenoxyphenyl)-(4-hydroxyphenyl)methanone
CID 22633824

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-amino-3-hydroxyphenoxy)benzoic acid?
The IUPAC name of 2,3-bis(4-amino-3-hydroxyphenoxy)benzoic acid (CID 141051376) is 2,3-bis(4-amino-3-hydroxyphenoxy)benzoic acid.
What is the SMILES notation for 2,3-bis(4-amino-3-hydroxyphenoxy)benzoic acid?
The canonical SMILES for 2,3-bis(4-amino-3-hydroxyphenoxy)benzoic acid is Nc1ccc(Oc2cccc(C(=O)O)c2Oc2ccc(N)c(O)c2)cc1O.
What is the InChIKey of 2,3-bis(4-amino-3-hydroxyphenoxy)benzoic acid?
The InChIKey is WITFLDCHOZVXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O6/c20-13-6-4-10(8-15(13)22)26-17-3-1-2-12(19(24)25)18(17)27-11-5-7-14(21)16(23)9-11/h1-9,22-23H,20-21H2,(H,24,25).
What are the key properties of 2,3-bis(4-amino-3-hydroxyphenoxy)benzoic acid?
2,3-bis(4-amino-3-hydroxyphenoxy)benzoic acid has a molecular weight of 368.35 g/mol, XLogP of 3.55, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-amino-3-hydroxyphenoxy)benzoic acid is sourced from PubChem (CID 141051376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).