5-[bis[(2-hydroxyphenyl)methyl]amino]-2-hydroxybenzoic acid

C21H19NO5 — CID 3895

IUPAC5-[bis[(2-hydroxyphenyl)methyl]amino]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(N(Cc2ccccc2O)Cc2ccccc2O)ccc1O
InChIInChI=1S/C21H19NO5/c23-18-7-3-1-5-14(18)12-22(13-15-6-2-4-8-19(15)24)16-9-10-20(25)17(11-16)21(26)27/h1-11,23-25H,12-13H2,(H,26,27)
InChIKeyRTYOLBQXFXYMKY-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.71
Rot. Bonds6

About 5-[bis[(2-hydroxyphenyl)methyl]amino]-2-hydroxybenzoic acid

5-[bis[(2-hydroxyphenyl)methyl]amino]-2-hydroxybenzoic acid (PubChem CID 3895) has the molecular formula C21H19NO5 and a molecular weight of 365.39 g/mol. Its IUPAC name is 5-[bis[(2-hydroxyphenyl)methyl]amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[bis[(2-hydroxyphenyl)methyl]amino]-2-hydroxybenzoic acid
PubChem CID3895
Molecular FormulaC21H19NO5
Molecular Weight365.39 g/mol
Exact Mass365.13
IUPAC Name5-[bis[(2-hydroxyphenyl)methyl]amino]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(N(Cc2ccccc2O)Cc2ccccc2O)ccc1O
InChIInChI=1S/C21H19NO5/c23-18-7-3-1-5-14(18)12-22(13-15-6-2-4-8-19(15)24)16-9-10-20(25)17(11-16)21(26)27/h1-11,23-25H,12-13H2,(H,26,27)
InChIKeyRTYOLBQXFXYMKY-UHFFFAOYSA-N
XLogP3.71
TPSA101.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

Olsalazine
CID 22419
Lavendustin C
CID 3896
N-Acetyl-5-Aminosalicylic Acid
CID 65512
Lavendustin A
CID 3894
Chrysamine G
CID 160843
Crisdesalazine
CID 16042343
5-(Phenylazo)salicylic acid
CID 76603
Mordant violet 1
CID 111302
2-hydroxy-5-[N-[(2,5-dihydroxyphenyl)methyl] amino]-benzoic acid 3-phenylpropyl ester
CID 9821918
Lavendustin C methyl ester
CID 10085557
2-Hydroxy-5-((2-hydroxybenzyl)amino)benzoic acid
CID 10106602
Ethyl 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxybenzoate
CID 10357604

Frequently Asked Questions

What is the IUPAC name of 5-[bis[(2-hydroxyphenyl)methyl]amino]-2-hydroxybenzoic acid?
The IUPAC name of 5-[bis[(2-hydroxyphenyl)methyl]amino]-2-hydroxybenzoic acid (CID 3895) is 5-[bis[(2-hydroxyphenyl)methyl]amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[bis[(2-hydroxyphenyl)methyl]amino]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[bis[(2-hydroxyphenyl)methyl]amino]-2-hydroxybenzoic acid is O=C(O)c1cc(N(Cc2ccccc2O)Cc2ccccc2O)ccc1O.
What is the InChIKey of 5-[bis[(2-hydroxyphenyl)methyl]amino]-2-hydroxybenzoic acid?
The InChIKey is RTYOLBQXFXYMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO5/c23-18-7-3-1-5-14(18)12-22(13-15-6-2-4-8-19(15)24)16-9-10-20(25)17(11-16)21(26)27/h1-11,23-25H,12-13H2,(H,26,27).
What are the key properties of 5-[bis[(2-hydroxyphenyl)methyl]amino]-2-hydroxybenzoic acid?
5-[bis[(2-hydroxyphenyl)methyl]amino]-2-hydroxybenzoic acid has a molecular weight of 365.39 g/mol, XLogP of 3.71, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis[(2-hydroxyphenyl)methyl]amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 3895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).