2-[(4-nitrophenyl)iminomethyl]naphthalen-1-ol

C17H12N2O3 — CID 135885630

IUPAC2-[(4-nitrophenyl)iminomethyl]naphthalen-1-ol
SMILESO=[N+]([O-])c1ccc(/N=C/c2ccc3ccccc3c2O)cc1
InChIInChI=1S/C17H12N2O3/c20-17-13(6-5-12-3-1-2-4-16(12)17)11-18-14-7-9-15(10-8-14)19(21)22/h1-11,20H/b18-11+
InChIKeyKBRPTIQDEVIVEH-WOJGMQOQSA-N
MW292.29 g/mol
LogP4.20
Rot. Bonds3

About 2-[(4-nitrophenyl)iminomethyl]naphthalen-1-ol

2-[(4-nitrophenyl)iminomethyl]naphthalen-1-ol (PubChem CID 135885630) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is 2-[(4-nitrophenyl)iminomethyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[(4-nitrophenyl)iminomethyl]naphthalen-1-ol
PubChem CID135885630
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Name2-[(4-nitrophenyl)iminomethyl]naphthalen-1-ol
SMILESO=[N+]([O-])c1ccc(/N=C/c2ccc3ccccc3c2O)cc1
InChIInChI=1S/C17H12N2O3/c20-17-13(6-5-12-3-1-2-4-16(12)17)11-18-14-7-9-15(10-8-14)19(21)22/h1-11,20H/b18-11+
InChIKeyKBRPTIQDEVIVEH-WOJGMQOQSA-N
XLogP4.20
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-Hydroxyphenyliminomethyl)-2-naphthol
CID 269970
1-(((2-Hydroxyphenyl)imino)methyl)-2-naphthalenol
CID 85895
1-(Anilinomethylidene)-2-naphthalenone
CID 269969
1-(4-Nitrophenyliminomethyl)-2-naphthol
CID 626145
2-(Naphthalen-1-yliminomethyl)-4-nitro-phenol
CID 690984
1-{(E)-[(4-vinylphenyl)imino]methyl}-2-naphthol
CID 4445693
Phenol, 4-(2-naphthalenylmethyleneamino)-
CID 619026
Nsc305935
CID 328192
1-(((4-Iodophenyl)imino)methyl)naphthalen-2-ol
CID 1083504
1-(O-Tolyliminomethyl)-2-naphthol
CID 548604
2-[(E)-(naphthalen-1-ylimino)methyl]-6-nitrophenol
CID 1514111
2-(4-Nitro-benzyl)-naphthalen-1-ol
CID 44347691

Frequently Asked Questions

What is the IUPAC name of 2-[(4-nitrophenyl)iminomethyl]naphthalen-1-ol?
The IUPAC name of 2-[(4-nitrophenyl)iminomethyl]naphthalen-1-ol (CID 135885630) is 2-[(4-nitrophenyl)iminomethyl]naphthalen-1-ol.
What is the SMILES notation for 2-[(4-nitrophenyl)iminomethyl]naphthalen-1-ol?
The canonical SMILES for 2-[(4-nitrophenyl)iminomethyl]naphthalen-1-ol is O=[N+]([O-])c1ccc(/N=C/c2ccc3ccccc3c2O)cc1.
What is the InChIKey of 2-[(4-nitrophenyl)iminomethyl]naphthalen-1-ol?
The InChIKey is KBRPTIQDEVIVEH-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H12N2O3/c20-17-13(6-5-12-3-1-2-4-16(12)17)11-18-14-7-9-15(10-8-14)19(21)22/h1-11,20H/b18-11+.
What are the key properties of 2-[(4-nitrophenyl)iminomethyl]naphthalen-1-ol?
2-[(4-nitrophenyl)iminomethyl]naphthalen-1-ol has a molecular weight of 292.29 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-nitrophenyl)iminomethyl]naphthalen-1-ol is sourced from PubChem (CID 135885630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).