2-[(E)-[(E)-[(2Z)-2-benzylideneheptylidene]hydrazinylidene]methyl]phenol

C21H24N2O — CID 136678687

IUPAC2-[(E)-[(E)-[(2Z)-2-benzylideneheptylidene]hydrazinylidene]methyl]phenol
SMILESCCCCCC(=C/c1ccccc1)/C=N/N=C/c1ccccc1O
InChIInChI=1S/C21H24N2O/c1-2-3-5-12-19(15-18-10-6-4-7-11-18)16-22-23-17-20-13-8-9-14-21(20)24/h4,6-11,13-17,24H,2-3,5,12H2,1H3/b19-15-,22-16+,23-17+
InChIKeySPQAJJPMANNQQH-CMZMPKHNSA-N
MW320.44 g/mol
LogP5.46
Rot. Bonds8

About 2-[(E)-[(E)-[(2Z)-2-benzylideneheptylidene]hydrazinylidene]methyl]phenol

2-[(E)-[(E)-[(2Z)-2-benzylideneheptylidene]hydrazinylidene]methyl]phenol (PubChem CID 136678687) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-[(E)-[(E)-[(2Z)-2-benzylideneheptylidene]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[(E)-[(E)-[(2Z)-2-benzylideneheptylidene]hydrazinylidene]methyl]phenol
PubChem CID136678687
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name2-[(E)-[(E)-[(2Z)-2-benzylideneheptylidene]hydrazinylidene]methyl]phenol
SMILESCCCCCC(=C/c1ccccc1)/C=N/N=C/c1ccccc1O
InChIInChI=1S/C21H24N2O/c1-2-3-5-12-19(15-18-10-6-4-7-11-18)16-22-23-17-20-13-8-9-14-21(20)24/h4,6-11,13-17,24H,2-3,5,12H2,1H3/b19-15-,22-16+,23-17+
InChIKeySPQAJJPMANNQQH-CMZMPKHNSA-N
XLogP5.46
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.44
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(NZ)-N-[(2E)-2-benzylideneheptylidene]hydroxylamine
CID 5356023
N-(2-benzylideneheptylideneamino)-2-hydroxybenzamide
CID 3110234
methyl N-[(E)-[(2E)-2-benzylideneheptylidene]amino]carbamate
CID 18206230
N-[(2-hydroxyphenyl)methylideneamino]undecanamide
CID 5053269
N-[(2-hydroxyphenyl)methylideneamino]octanamide
CID 3393777
4-amino-N-[(Z)-[(2E)-2-benzylideneheptylidene]amino]benzamide
CID 7955494
(2E)-2-benzylideneheptanoic acid
CID 14318164
(E)-2-methyl-1-phenylnon-1-en-3-one
CID 102243478
(Z,2E)-2-(furan-2-ylmethylidene)-N-[(Z)-[(2Z)-2-(furan-2-ylmethylidene)heptylidene]amino]heptan-1-imine
CID 7408885
(E,4Z)-4-benzylidene-2-methyldec-2-en-1-ol
CID 135262709
N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]octadecanamide
CID 45054186
2-[(E)-[(E)-[4-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenyl]methylidenehydrazinylidene]methyl]phenol
CID 135911153

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(E)-[(2Z)-2-benzylideneheptylidene]hydrazinylidene]methyl]phenol?
The IUPAC name of 2-[(E)-[(E)-[(2Z)-2-benzylideneheptylidene]hydrazinylidene]methyl]phenol (CID 136678687) is 2-[(E)-[(E)-[(2Z)-2-benzylideneheptylidene]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[(E)-[(E)-[(2Z)-2-benzylideneheptylidene]hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[(E)-[(E)-[(2Z)-2-benzylideneheptylidene]hydrazinylidene]methyl]phenol is CCCCCC(=C/c1ccccc1)/C=N/N=C/c1ccccc1O.
What is the InChIKey of 2-[(E)-[(E)-[(2Z)-2-benzylideneheptylidene]hydrazinylidene]methyl]phenol?
The InChIKey is SPQAJJPMANNQQH-CMZMPKHNSA-N. The full InChI is InChI=1S/C21H24N2O/c1-2-3-5-12-19(15-18-10-6-4-7-11-18)16-22-23-17-20-13-8-9-14-21(20)24/h4,6-11,13-17,24H,2-3,5,12H2,1H3/b19-15-,22-16+,23-17+.
What are the key properties of 2-[(E)-[(E)-[(2Z)-2-benzylideneheptylidene]hydrazinylidene]methyl]phenol?
2-[(E)-[(E)-[(2Z)-2-benzylideneheptylidene]hydrazinylidene]methyl]phenol has a molecular weight of 320.44 g/mol, XLogP of 5.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(E)-[(2Z)-2-benzylideneheptylidene]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 136678687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).