(4-methoxyphenyl)methyl 5-amino-2-hydroxybenzoate

C15H15NO4 — CID 61303104

IUPAC(4-methoxyphenyl)methyl 5-amino-2-hydroxybenzoate
SMILESCOc1ccc(COC(=O)c2cc(N)ccc2O)cc1
InChIInChI=1S/C15H15NO4/c1-19-12-5-2-10(3-6-12)9-20-15(18)13-8-11(16)4-7-14(13)17/h2-8,17H,9,16H2,1H3
InChIKeyNASCUZZFIJNNMG-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.34
Rot. Bonds4

About (4-methoxyphenyl)methyl 5-amino-2-hydroxybenzoate

(4-methoxyphenyl)methyl 5-amino-2-hydroxybenzoate (PubChem CID 61303104) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 5-amino-2-hydroxybenzoate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl 5-amino-2-hydroxybenzoate
PubChem CID61303104
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name(4-methoxyphenyl)methyl 5-amino-2-hydroxybenzoate
SMILESCOc1ccc(COC(=O)c2cc(N)ccc2O)cc1
InChIInChI=1S/C15H15NO4/c1-19-12-5-2-10(3-6-12)9-20-15(18)13-8-11(16)4-7-14(13)17/h2-8,17H,9,16H2,1H3
InChIKeyNASCUZZFIJNNMG-UHFFFAOYSA-N
XLogP2.34
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxyphenyl)methyl 5-amino-2-methylbenzoate
CID 61310472
(4-methoxyphenyl)methyl 4-amino-2,5-difluorobenzoate
CID 104700445
(4-methoxyphenyl)methyl 3-methoxynaphthalene-2-carboxylate
CID 16578220
(4-methoxyphenyl)methyl 3-amino-2-methylbenzoate
CID 61308912
(4-fluorophenyl)methyl 4-amino-2-methoxybenzoate
CID 104783988
(4-fluorophenyl)methyl 2-amino-5-methoxybenzoate
CID 61321680
(4-iodophenyl)methyl 5-amino-2-methylbenzoate
CID 65477126
(4-methoxycarbonylphenyl)methyl 3-hydroxynaphthalene-2-carboxylate
CID 895058
pentyl 5-amino-2-hydroxybenzoate
CID 61302134
(4-methoxyphenyl)methyl 4-(4-hydroxyphenyl)benzoate
CID 16577371
5-amino-N-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methylbenzamide
CID 120630633
(4-aminophenyl)methyl 5-amino-2-[(E)-prop-1-enyl]benzoate
CID 173155737

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 5-amino-2-hydroxybenzoate?
The IUPAC name of (4-methoxyphenyl)methyl 5-amino-2-hydroxybenzoate (CID 61303104) is (4-methoxyphenyl)methyl 5-amino-2-hydroxybenzoate.
What is the SMILES notation for (4-methoxyphenyl)methyl 5-amino-2-hydroxybenzoate?
The canonical SMILES for (4-methoxyphenyl)methyl 5-amino-2-hydroxybenzoate is COc1ccc(COC(=O)c2cc(N)ccc2O)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl 5-amino-2-hydroxybenzoate?
The InChIKey is NASCUZZFIJNNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-19-12-5-2-10(3-6-12)9-20-15(18)13-8-11(16)4-7-14(13)17/h2-8,17H,9,16H2,1H3.
What are the key properties of (4-methoxyphenyl)methyl 5-amino-2-hydroxybenzoate?
(4-methoxyphenyl)methyl 5-amino-2-hydroxybenzoate has a molecular weight of 273.29 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl 5-amino-2-hydroxybenzoate is sourced from PubChem (CID 61303104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).