(1-formylnaphthalen-2-yl) 4-amino-2-hydroxybenzoate

C18H13NO4 — CID 175352459

IUPAC(1-formylnaphthalen-2-yl) 4-amino-2-hydroxybenzoate
SMILESNc1ccc(C(=O)Oc2ccc3ccccc3c2C=O)c(O)c1
InChIInChI=1S/C18H13NO4/c19-12-6-7-14(16(21)9-12)18(22)23-17-8-5-11-3-1-2-4-13(11)15(17)10-20/h1-10,21H,19H2
InChIKeyXURQWSTYISOUPF-UHFFFAOYSA-N
MW307.31 g/mol
LogP3.16
Rot. Bonds3

About (1-formylnaphthalen-2-yl) 4-amino-2-hydroxybenzoate

(1-formylnaphthalen-2-yl) 4-amino-2-hydroxybenzoate (PubChem CID 175352459) has the molecular formula C18H13NO4 and a molecular weight of 307.31 g/mol. Its IUPAC name is (1-formylnaphthalen-2-yl) 4-amino-2-hydroxybenzoate.

Molecular Properties

Compound Name(1-formylnaphthalen-2-yl) 4-amino-2-hydroxybenzoate
PubChem CID175352459
Molecular FormulaC18H13NO4
Molecular Weight307.31 g/mol
Exact Mass307.08
IUPAC Name(1-formylnaphthalen-2-yl) 4-amino-2-hydroxybenzoate
SMILESNc1ccc(C(=O)Oc2ccc3ccccc3c2C=O)c(O)c1
InChIInChI=1S/C18H13NO4/c19-12-6-7-14(16(21)9-12)18(22)23-17-8-5-11-3-1-2-4-13(11)15(17)10-20/h1-10,21H,19H2
InChIKeyXURQWSTYISOUPF-UHFFFAOYSA-N
XLogP3.16
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1-formylnaphthalen-2-yl) 2-fluorobenzoate
CID 40567233
(1-formylnaphthalen-2-yl) acetate
CID 2063426
(1-formylnaphthalen-2-yl) 4-methoxybenzoate
CID 4778907
4-amino-2-(4-amino-2-hydroxybenzoyl)oxybenzoic acid
CID 54364627
(1-formylnaphthalen-2-yl) 2,2,2-trichloroacetate
CID 39199916
5-amino-2-(4-hydroxyanthracene-1-carbonyl)oxybenzoic acid
CID 57046044
(2,6-dimethylphenyl) 4-amino-2-hydroxybenzoate
CID 23275051
(1-formylnaphthalen-2-yl) 2-chloro-6-fluorobenzoate
CID 39199802
[1-[(E)-[(1-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]naphthalen-2-yl] naphthalene-1-carboxylate
CID 46500871
naphthalen-1-yl 2-hydroxybenzoate
CID 504536
(3-benzoyloxy-4-formylnaphthalen-2-yl) naphthalene-1-carboxylate
CID 19978902
[1-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate
CID 6092077

Frequently Asked Questions

What is the IUPAC name of (1-formylnaphthalen-2-yl) 4-amino-2-hydroxybenzoate?
The IUPAC name of (1-formylnaphthalen-2-yl) 4-amino-2-hydroxybenzoate (CID 175352459) is (1-formylnaphthalen-2-yl) 4-amino-2-hydroxybenzoate.
What is the SMILES notation for (1-formylnaphthalen-2-yl) 4-amino-2-hydroxybenzoate?
The canonical SMILES for (1-formylnaphthalen-2-yl) 4-amino-2-hydroxybenzoate is Nc1ccc(C(=O)Oc2ccc3ccccc3c2C=O)c(O)c1.
What is the InChIKey of (1-formylnaphthalen-2-yl) 4-amino-2-hydroxybenzoate?
The InChIKey is XURQWSTYISOUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO4/c19-12-6-7-14(16(21)9-12)18(22)23-17-8-5-11-3-1-2-4-13(11)15(17)10-20/h1-10,21H,19H2.
What are the key properties of (1-formylnaphthalen-2-yl) 4-amino-2-hydroxybenzoate?
(1-formylnaphthalen-2-yl) 4-amino-2-hydroxybenzoate has a molecular weight of 307.31 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-formylnaphthalen-2-yl) 4-amino-2-hydroxybenzoate is sourced from PubChem (CID 175352459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).