(2,6-dimethylphenyl) 4-amino-2-hydroxybenzoate

C15H15NO3 — CID 23275051

IUPAC(2,6-dimethylphenyl) 4-amino-2-hydroxybenzoate
SMILESCc1cccc(C)c1OC(=O)c1ccc(N)cc1O
InChIInChI=1S/C15H15NO3/c1-9-4-3-5-10(2)14(9)19-15(18)12-7-6-11(16)8-13(12)17/h3-8,17H,16H2,1-2H3
InChIKeyDDBFNCTTWORLAT-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.81
Rot. Bonds2

About (2,6-dimethylphenyl) 4-amino-2-hydroxybenzoate

(2,6-dimethylphenyl) 4-amino-2-hydroxybenzoate (PubChem CID 23275051) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is (2,6-dimethylphenyl) 4-amino-2-hydroxybenzoate.

Molecular Properties

Compound Name(2,6-dimethylphenyl) 4-amino-2-hydroxybenzoate
PubChem CID23275051
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name(2,6-dimethylphenyl) 4-amino-2-hydroxybenzoate
SMILESCc1cccc(C)c1OC(=O)c1ccc(N)cc1O
InChIInChI=1S/C15H15NO3/c1-9-4-3-5-10(2)14(9)19-15(18)12-7-6-11(16)8-13(12)17/h3-8,17H,16H2,1-2H3
InChIKeyDDBFNCTTWORLAT-UHFFFAOYSA-N
XLogP2.81
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-(4-amino-2-hydroxybenzoyl)oxybenzoic acid
CID 54364627
4-amino-N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-hydroxybenzamide
CID 57406374
ethenyl 4-amino-2-hydroxybenzoate
CID 21423592
4-(4-amino-2-hydroxybenzoyl)oxy-2-hydroxybenzoic acid
CID 57080181
(3-methyl-5-propan-2-ylphenyl) 4-amino-2-hydroxybenzoate
CID 21148127
(2,6-dimethylphenyl) 5-butyl-2-hydroxybenzoate
CID 19021925
4-amino-N-(2,5-dimethylpyrrol-1-yl)-2-hydroxybenzamide
CID 46837358
4-hydroxybutyl 4-amino-2-hydroxybenzoate
CID 121220712
(1-formylnaphthalen-2-yl) 4-amino-2-hydroxybenzoate
CID 175352459
(2,6-dimethylphenyl)methyl 4-amino-2-chlorobenzoate
CID 78998446
5-hydroxypentyl 4-amino-2-hydroxybenzoate
CID 121013033
2-(4-amino-2-hydroxybenzoyl)oxyethyl-trimethylazanium chloride
CID 18466334

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylphenyl) 4-amino-2-hydroxybenzoate?
The IUPAC name of (2,6-dimethylphenyl) 4-amino-2-hydroxybenzoate (CID 23275051) is (2,6-dimethylphenyl) 4-amino-2-hydroxybenzoate.
What is the SMILES notation for (2,6-dimethylphenyl) 4-amino-2-hydroxybenzoate?
The canonical SMILES for (2,6-dimethylphenyl) 4-amino-2-hydroxybenzoate is Cc1cccc(C)c1OC(=O)c1ccc(N)cc1O.
What is the InChIKey of (2,6-dimethylphenyl) 4-amino-2-hydroxybenzoate?
The InChIKey is DDBFNCTTWORLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-9-4-3-5-10(2)14(9)19-15(18)12-7-6-11(16)8-13(12)17/h3-8,17H,16H2,1-2H3.
What are the key properties of (2,6-dimethylphenyl) 4-amino-2-hydroxybenzoate?
(2,6-dimethylphenyl) 4-amino-2-hydroxybenzoate has a molecular weight of 257.29 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylphenyl) 4-amino-2-hydroxybenzoate is sourced from PubChem (CID 23275051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).