phenyl 3-hydroxynaphthalene-2-carboximidate

C17H13NO2 — CID 135979584

IUPACphenyl 3-hydroxynaphthalene-2-carboximidate
SMILES[H]/N=C(\Oc1ccccc1)c1cc2ccccc2cc1O
InChIInChI=1S/C17H13NO2/c18-17(20-14-8-2-1-3-9-14)15-10-12-6-4-5-7-13(12)11-16(15)19/h1-11,18-19H/b18-17-
InChIKeyRLFXLENXXHVKOH-ZCXUNETKSA-N
MW263.30 g/mol
LogP3.95
Rot. Bonds2

About phenyl 3-hydroxynaphthalene-2-carboximidate

phenyl 3-hydroxynaphthalene-2-carboximidate (PubChem CID 135979584) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is phenyl 3-hydroxynaphthalene-2-carboximidate.

Molecular Properties

Compound Namephenyl 3-hydroxynaphthalene-2-carboximidate
PubChem CID135979584
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Namephenyl 3-hydroxynaphthalene-2-carboximidate
SMILES[H]/N=C(\Oc1ccccc1)c1cc2ccccc2cc1O
InChIInChI=1S/C17H13NO2/c18-17(20-14-8-2-1-3-9-14)15-10-12-6-4-5-7-13(12)11-16(15)19/h1-11,18-19H/b18-17-
InChIKeyRLFXLENXXHVKOH-ZCXUNETKSA-N
XLogP3.95
TPSA53.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenyl 3-hydroxynaphthalene-2-carboximidate?
The IUPAC name of phenyl 3-hydroxynaphthalene-2-carboximidate (CID 135979584) is phenyl 3-hydroxynaphthalene-2-carboximidate.
What is the SMILES notation for phenyl 3-hydroxynaphthalene-2-carboximidate?
The canonical SMILES for phenyl 3-hydroxynaphthalene-2-carboximidate is [H]/N=C(\Oc1ccccc1)c1cc2ccccc2cc1O.
What is the InChIKey of phenyl 3-hydroxynaphthalene-2-carboximidate?
The InChIKey is RLFXLENXXHVKOH-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H13NO2/c18-17(20-14-8-2-1-3-9-14)15-10-12-6-4-5-7-13(12)11-16(15)19/h1-11,18-19H/b18-17-.
What are the key properties of phenyl 3-hydroxynaphthalene-2-carboximidate?
phenyl 3-hydroxynaphthalene-2-carboximidate has a molecular weight of 263.30 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 3-hydroxynaphthalene-2-carboximidate is sourced from PubChem (CID 135979584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).