phenyl 3-amino-4-hydroxybenzoate

C13H11NO3 — CID 154120307

IUPACphenyl 3-amino-4-hydroxybenzoate
SMILESNc1cc(C(=O)Oc2ccccc2)ccc1O
InChIInChI=1S/C13H11NO3/c14-11-8-9(6-7-12(11)15)13(16)17-10-4-2-1-3-5-10/h1-8,15H,14H2
InChIKeyDUCVTFMODINEIT-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.19
Rot. Bonds2

About phenyl 3-amino-4-hydroxybenzoate

phenyl 3-amino-4-hydroxybenzoate (PubChem CID 154120307) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is phenyl 3-amino-4-hydroxybenzoate.

Molecular Properties

Compound Namephenyl 3-amino-4-hydroxybenzoate
PubChem CID154120307
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Namephenyl 3-amino-4-hydroxybenzoate
SMILESNc1cc(C(=O)Oc2ccccc2)ccc1O
InChIInChI=1S/C13H11NO3/c14-11-8-9(6-7-12(11)15)13(16)17-10-4-2-1-3-5-10/h1-8,15H,14H2
InChIKeyDUCVTFMODINEIT-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': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

phenyl 3,4-diaminobenzoate
CID 22184045
phenyl 4-amino-3-hydroxybenzoate
CID 141431742
(2-amino-4-benzoylphenyl) 3-amino-4-hydroxybenzoate
CID 57166754
diphenyl 5-aminobenzene-1,3-dicarboxylate
CID 67545316
phenyl 6-hydroxynaphthalene-2-carboxylate
CID 18762076
(2-phenylacetyl) 3-amino-4-hydroxybenzoate
CID 11708822
3-amino-4-hydroxybenzoic acid
CID 161134080
[3-(3,4-dihydroxybenzoyl)oxyphenyl] 3,4-dihydroxybenzoate
CID 59350341
1-O-[2-(4-phenoxycarbonylbenzoyl)oxyethyl] 4-O-phenyl benzene-1,4-dicarboxylate
CID 154278572
phenyl 4-[4-(4-aminophenoxy)carbonylphenyl]benzoate
CID 68524918
diphenyl 4,6-dihydroxybenzene-1,3-dicarboxylate
CID 154114345
diphenyl benzene-1,3-dicarboxylate;5-phenylbenzene-1,2,3,4-tetramine
CID 88503848

Frequently Asked Questions

What is the IUPAC name of phenyl 3-amino-4-hydroxybenzoate?
The IUPAC name of phenyl 3-amino-4-hydroxybenzoate (CID 154120307) is phenyl 3-amino-4-hydroxybenzoate.
What is the SMILES notation for phenyl 3-amino-4-hydroxybenzoate?
The canonical SMILES for phenyl 3-amino-4-hydroxybenzoate is Nc1cc(C(=O)Oc2ccccc2)ccc1O.
What is the InChIKey of phenyl 3-amino-4-hydroxybenzoate?
The InChIKey is DUCVTFMODINEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c14-11-8-9(6-7-12(11)15)13(16)17-10-4-2-1-3-5-10/h1-8,15H,14H2.
What are the key properties of phenyl 3-amino-4-hydroxybenzoate?
phenyl 3-amino-4-hydroxybenzoate 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 phenyl 3-amino-4-hydroxybenzoate is sourced from PubChem (CID 154120307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).