2-[1-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]ethenyliminomethyl]phenol

C16H15N3O2 — CID 172922343

IUPAC2-[1-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]ethenyliminomethyl]phenol
SMILESC=C(N=Cc1ccccc1O)N/N=C/c1ccccc1O
InChIInChI=1S/C16H15N3O2/c1-12(17-10-13-6-2-4-8-15(13)20)19-18-11-14-7-3-5-9-16(14)21/h2-11,19-21H,1H2/b17-10?,18-11+
InChIKeyGSPLWXSFUFIHSK-RAKQUHMUSA-N
MW281.32 g/mol
LogP2.61
Rot. Bonds5

About 2-[1-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]ethenyliminomethyl]phenol

2-[1-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]ethenyliminomethyl]phenol (PubChem CID 172922343) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-[1-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]ethenyliminomethyl]phenol.

Molecular Properties

Compound Name2-[1-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]ethenyliminomethyl]phenol
PubChem CID172922343
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name2-[1-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]ethenyliminomethyl]phenol
SMILESC=C(N=Cc1ccccc1O)N/N=C/c1ccccc1O
InChIInChI=1S/C16H15N3O2/c1-12(17-10-13-6-2-4-8-15(13)20)19-18-11-14-7-3-5-9-16(14)21/h2-11,19-21H,1H2/b17-10?,18-11+
InChIKeyGSPLWXSFUFIHSK-RAKQUHMUSA-N
XLogP2.61
TPSA77.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

2-[(E)-(1-phenylethenylhydrazinylidene)methyl]phenol
CID 136620434
1,3-bis[(2-hydroxyphenyl)methylideneamino]thiourea
CID 3446799
2-[(E)-[[1-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-methylprop-1-enyl]hydrazinylidene]methyl]phenol
CID 166987250
[(Z)-(2-hydroxyphenyl)methylideneamino]urea
CID 135741564
1-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(Z)-(2-hydroxyphenyl)methylideneamino]guanidine
CID 136795111
1,1-dichloro-3-[(2-hydroxyphenyl)methylideneamino]thiourea
CID 137178247
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]amino]acetamide
CID 177478603
N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]decanediamide
CID 135555032
3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropanoate
CID 135683195
N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methyloxamide
CID 135531553
2-[1-[(2-hydroxyphenyl)methylideneamino]prop-1-enyliminomethyl]phenol
CID 173045611
(2S)-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135688184

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]ethenyliminomethyl]phenol?
The IUPAC name of 2-[1-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]ethenyliminomethyl]phenol (CID 172922343) is 2-[1-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]ethenyliminomethyl]phenol.
What is the SMILES notation for 2-[1-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]ethenyliminomethyl]phenol?
The canonical SMILES for 2-[1-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]ethenyliminomethyl]phenol is C=C(N=Cc1ccccc1O)N/N=C/c1ccccc1O.
What is the InChIKey of 2-[1-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]ethenyliminomethyl]phenol?
The InChIKey is GSPLWXSFUFIHSK-RAKQUHMUSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-12(17-10-13-6-2-4-8-15(13)20)19-18-11-14-7-3-5-9-16(14)21/h2-11,19-21H,1H2/b17-10?,18-11+.
What are the key properties of 2-[1-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]ethenyliminomethyl]phenol?
2-[1-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]ethenyliminomethyl]phenol has a molecular weight of 281.32 g/mol, XLogP of 2.61, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]ethenyliminomethyl]phenol is sourced from PubChem (CID 172922343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).