2-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]phenol

C16H17N3O — CID 135497951

IUPAC2-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]phenol
SMILESCN(C)c1ccc(/C=N/N=C/c2ccccc2O)cc1
InChIInChI=1S/C16H17N3O/c1-19(2)15-9-7-13(8-10-15)11-17-18-12-14-5-3-4-6-16(14)20/h3-12,20H,1-2H3/b17-11+,18-12+
InChIKeyNQSZXCSEOWBWRN-JYFOCSDGSA-N
MW267.33 g/mol
LogP2.91
Rot. Bonds4

About 2-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]phenol

2-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]phenol (PubChem CID 135497951) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]phenol
PubChem CID135497951
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]phenol
SMILESCN(C)c1ccc(/C=N/N=C/c2ccccc2O)cc1
InChIInChI=1S/C16H17N3O/c1-19(2)15-9-7-13(8-10-15)11-17-18-12-14-5-3-4-6-16(14)20/h3-12,20H,1-2H3/b17-11+,18-12+
InChIKeyNQSZXCSEOWBWRN-JYFOCSDGSA-N
XLogP2.91
TPSA48.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]phenol?
The IUPAC name of 2-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]phenol (CID 135497951) is 2-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]phenol is CN(C)c1ccc(/C=N/N=C/c2ccccc2O)cc1.
What is the InChIKey of 2-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]phenol?
The InChIKey is NQSZXCSEOWBWRN-JYFOCSDGSA-N. The full InChI is InChI=1S/C16H17N3O/c1-19(2)15-9-7-13(8-10-15)11-17-18-12-14-5-3-4-6-16(14)20/h3-12,20H,1-2H3/b17-11+,18-12+.
What are the key properties of 2-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]phenol?
2-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]phenol has a molecular weight of 267.33 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]phenol is sourced from PubChem (CID 135497951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).