(5-amino-2-hydroxyphenyl) benzoate

C13H11NO3 — CID 12648522

IUPAC(5-amino-2-hydroxyphenyl) benzoate
SMILESNc1ccc(O)c(OC(=O)c2ccccc2)c1
InChIInChI=1S/C13H11NO3/c14-10-6-7-11(15)12(8-10)17-13(16)9-4-2-1-3-5-9/h1-8,15H,14H2
InChIKeyNSHXTBPLDRTEPI-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.19
Rot. Bonds2

About (5-amino-2-hydroxyphenyl) benzoate

(5-amino-2-hydroxyphenyl) benzoate (PubChem CID 12648522) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is (5-amino-2-hydroxyphenyl) benzoate.

Molecular Properties

Compound Name(5-amino-2-hydroxyphenyl) benzoate
PubChem CID12648522
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Name(5-amino-2-hydroxyphenyl) benzoate
SMILESNc1ccc(O)c(OC(=O)c2ccccc2)c1
InChIInChI=1S/C13H11NO3/c14-10-6-7-11(15)12(8-10)17-13(16)9-4-2-1-3-5-9/h1-8,15H,14H2
InChIKeyNSHXTBPLDRTEPI-UHFFFAOYSA-N
XLogP2.19
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5-amino-2-methanehydrazonoylphenyl) benzoate
CID 141453778
[2-(2-hydroxyphenyl)phenyl] benzoate
CID 14400054
(2-amino-4-benzoylphenyl) 3-amino-4-hydroxybenzoate
CID 57166754
(5-hydroxynaphthalen-1-yl) benzoate
CID 646429
4-amino-2-(4-amino-2-hydroxybenzoyl)oxybenzoic acid
CID 54364627
[2-(3,4-dihydroxybenzoyl)oxyphenyl] 3,4-dihydroxybenzoate
CID 59350326
(2-hydroxyphenyl) 4-fluorobenzoate
CID 91711747
2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl benzoate
CID 19830736
(4-amino-2,3-difluorophenyl) benzoate
CID 165356744
(2-hydroxyphenyl) 3-chlorobenzoate
CID 4525221
phenyl 3-amino-4-hydroxybenzoate
CID 154120307
(3-benzoyloxy-4-formyl-5-hydroxyphenyl) benzoate
CID 131871766

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-hydroxyphenyl) benzoate?
The IUPAC name of (5-amino-2-hydroxyphenyl) benzoate (CID 12648522) is (5-amino-2-hydroxyphenyl) benzoate.
What is the SMILES notation for (5-amino-2-hydroxyphenyl) benzoate?
The canonical SMILES for (5-amino-2-hydroxyphenyl) benzoate is Nc1ccc(O)c(OC(=O)c2ccccc2)c1.
What is the InChIKey of (5-amino-2-hydroxyphenyl) benzoate?
The InChIKey is NSHXTBPLDRTEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c14-10-6-7-11(15)12(8-10)17-13(16)9-4-2-1-3-5-9/h1-8,15H,14H2.
What are the key properties of (5-amino-2-hydroxyphenyl) benzoate?
(5-amino-2-hydroxyphenyl) benzoate has a molecular weight of 229.24 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-hydroxyphenyl) benzoate is sourced from PubChem (CID 12648522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).