2-[(E)-[[1-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-methylprop-1-enyl]hydrazinylidene]methyl]phenol

C18H20N4O2 — CID 166987250

IUPAC2-[(E)-[[1-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-methylprop-1-enyl]hydrazinylidene]methyl]phenol
SMILESCC(C)=C(N/N=C/c1ccccc1O)N/N=C/c1ccccc1O
InChIInChI=1S/C18H20N4O2/c1-13(2)18(21-19-11-14-7-3-5-9-16(14)23)22-20-12-15-8-4-6-10-17(15)24/h3-12,21-24H,1-2H3/b19-11+,20-12+
InChIKeyKZESGUAYEGUYGB-AYKLPDECSA-N
MW324.38 g/mol
LogP2.90
Rot. Bonds6

About 2-[(E)-[[1-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-methylprop-1-enyl]hydrazinylidene]methyl]phenol

2-[(E)-[[1-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-methylprop-1-enyl]hydrazinylidene]methyl]phenol (PubChem CID 166987250) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[(E)-[[1-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-methylprop-1-enyl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[(E)-[[1-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-methylprop-1-enyl]hydrazinylidene]methyl]phenol
PubChem CID166987250
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-[(E)-[[1-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-methylprop-1-enyl]hydrazinylidene]methyl]phenol
SMILESCC(C)=C(N/N=C/c1ccccc1O)N/N=C/c1ccccc1O
InChIInChI=1S/C18H20N4O2/c1-13(2)18(21-19-11-14-7-3-5-9-16(14)23)22-20-12-15-8-4-6-10-17(15)24/h3-12,21-24H,1-2H3/b19-11+,20-12+
InChIKeyKZESGUAYEGUYGB-AYKLPDECSA-N
XLogP2.90
TPSA89.24 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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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Related Compounds

5-[(E)-[[2-methyl-1-[(2E)-2-[(2,4,5-trihydroxyphenyl)methylidene]hydrazinyl]prop-1-enyl]hydrazinylidene]methyl]benzene-1,2,4-triol
CID 166987229
1,3-bis[(2-hydroxyphenyl)methylideneamino]thiourea
CID 3446799
[(Z)-(2-hydroxyphenyl)methylideneamino]urea
CID 135741564
1,1-dichloro-3-[(2-hydroxyphenyl)methylideneamino]thiourea
CID 137178247
N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methyloxamide
CID 135531553
2-[(E)-(1-phenylethenylhydrazinylidene)methyl]phenol
CID 136620434
2-[1-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]ethenyliminomethyl]phenol
CID 172922343
(2S)-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135688184
ethyl N-[(E)-(2-hydroxyphenyl)methylideneamino]carbamate
CID 135478857
N-[(E)-(2-hydroxyphenyl)methylideneamino]pentanamide
CID 135509646
1-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(Z)-(2-hydroxyphenyl)methylideneamino]guanidine
CID 136795111
3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropanoate
CID 135683195

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[[1-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-methylprop-1-enyl]hydrazinylidene]methyl]phenol?
The IUPAC name of 2-[(E)-[[1-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-methylprop-1-enyl]hydrazinylidene]methyl]phenol (CID 166987250) is 2-[(E)-[[1-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-methylprop-1-enyl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[(E)-[[1-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-methylprop-1-enyl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[(E)-[[1-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-methylprop-1-enyl]hydrazinylidene]methyl]phenol is CC(C)=C(N/N=C/c1ccccc1O)N/N=C/c1ccccc1O.
What is the InChIKey of 2-[(E)-[[1-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-methylprop-1-enyl]hydrazinylidene]methyl]phenol?
The InChIKey is KZESGUAYEGUYGB-AYKLPDECSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-13(2)18(21-19-11-14-7-3-5-9-16(14)23)22-20-12-15-8-4-6-10-17(15)24/h3-12,21-24H,1-2H3/b19-11+,20-12+.
What are the key properties of 2-[(E)-[[1-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-methylprop-1-enyl]hydrazinylidene]methyl]phenol?
2-[(E)-[[1-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-methylprop-1-enyl]hydrazinylidene]methyl]phenol has a molecular weight of 324.38 g/mol, XLogP of 2.90, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[[1-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-methylprop-1-enyl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 166987250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).