2-[(Z)-[(4-nitrophenoxy)methylhydrazinylidene]methyl]naphthalen-1-ol

C18H15N3O4 — CID 137057603

IUPAC2-[(Z)-[(4-nitrophenoxy)methylhydrazinylidene]methyl]naphthalen-1-ol
SMILESO=[N+]([O-])c1ccc(OCN/N=C\c2ccc3ccccc3c2O)cc1
InChIInChI=1S/C18H15N3O4/c22-18-14(6-5-13-3-1-2-4-17(13)18)11-19-20-12-25-16-9-7-15(8-10-16)21(23)24/h1-11,20,22H,12H2/b19-11-
InChIKeyZBBYCIKVLAYYDU-ODLFYWEKSA-N
MW337.34 g/mol
LogP3.41
Rot. Bonds6

About 2-[(Z)-[(4-nitrophenoxy)methylhydrazinylidene]methyl]naphthalen-1-ol

2-[(Z)-[(4-nitrophenoxy)methylhydrazinylidene]methyl]naphthalen-1-ol (PubChem CID 137057603) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is 2-[(Z)-[(4-nitrophenoxy)methylhydrazinylidene]methyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[(Z)-[(4-nitrophenoxy)methylhydrazinylidene]methyl]naphthalen-1-ol
PubChem CID137057603
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC Name2-[(Z)-[(4-nitrophenoxy)methylhydrazinylidene]methyl]naphthalen-1-ol
SMILESO=[N+]([O-])c1ccc(OCN/N=C\c2ccc3ccccc3c2O)cc1
InChIInChI=1S/C18H15N3O4/c22-18-14(6-5-13-3-1-2-4-17(13)18)11-19-20-12-25-16-9-7-15(8-10-16)21(23)24/h1-11,20,22H,12H2/b19-11-
InChIKeyZBBYCIKVLAYYDU-ODLFYWEKSA-N
XLogP3.41
TPSA96.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[(4-nitrophenoxy)methylhydrazinylidene]methyl]naphthalen-1-ol?
The IUPAC name of 2-[(Z)-[(4-nitrophenoxy)methylhydrazinylidene]methyl]naphthalen-1-ol (CID 137057603) is 2-[(Z)-[(4-nitrophenoxy)methylhydrazinylidene]methyl]naphthalen-1-ol.
What is the SMILES notation for 2-[(Z)-[(4-nitrophenoxy)methylhydrazinylidene]methyl]naphthalen-1-ol?
The canonical SMILES for 2-[(Z)-[(4-nitrophenoxy)methylhydrazinylidene]methyl]naphthalen-1-ol is O=[N+]([O-])c1ccc(OCN/N=C\c2ccc3ccccc3c2O)cc1.
What is the InChIKey of 2-[(Z)-[(4-nitrophenoxy)methylhydrazinylidene]methyl]naphthalen-1-ol?
The InChIKey is ZBBYCIKVLAYYDU-ODLFYWEKSA-N. The full InChI is InChI=1S/C18H15N3O4/c22-18-14(6-5-13-3-1-2-4-17(13)18)11-19-20-12-25-16-9-7-15(8-10-16)21(23)24/h1-11,20,22H,12H2/b19-11-.
What are the key properties of 2-[(Z)-[(4-nitrophenoxy)methylhydrazinylidene]methyl]naphthalen-1-ol?
2-[(Z)-[(4-nitrophenoxy)methylhydrazinylidene]methyl]naphthalen-1-ol has a molecular weight of 337.34 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(4-nitrophenoxy)methylhydrazinylidene]methyl]naphthalen-1-ol is sourced from PubChem (CID 137057603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).