2-[[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]methyl]-6-methoxyphenol

C16H18N2O4 — CID 137288425

IUPAC2-[[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]methyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/NCc2cccc(OC)c2O)c1O
InChIInChI=1S/C16H18N2O4/c1-21-13-7-3-5-11(15(13)19)9-17-18-10-12-6-4-8-14(22-2)16(12)20/h3-9,18-20H,10H2,1-2H3/b17-9+
InChIKeyKIZPEYXLGZDVJX-RQZCQDPDSA-N
MW302.33 g/mol
LogP2.24
Rot. Bonds6

About 2-[[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]methyl]-6-methoxyphenol

2-[[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]methyl]-6-methoxyphenol (PubChem CID 137288425) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]methyl]-6-methoxyphenol
PubChem CID137288425
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name2-[[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]methyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/NCc2cccc(OC)c2O)c1O
InChIInChI=1S/C16H18N2O4/c1-21-13-7-3-5-11(15(13)19)9-17-18-10-12-6-4-8-14(22-2)16(12)20/h3-9,18-20H,10H2,1-2H3/b17-9+
InChIKeyKIZPEYXLGZDVJX-RQZCQDPDSA-N
XLogP2.24
TPSA83.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'mannich_A(296)', '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

Benzaldehyde, 4-hydroxy-3-methoxy-, 2-[(4-hydroxy-3-methoxyphenyl)methylene]hydrazone
CID 135414383
1-(2-Hydroxybenzoyl)-2-(2-hydroxy-3-methoxybenzal)hydrazine
CID 438716
2-methoxy-4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 137174990
N,N'-Bis(2-hydroxy-3-methoxy-benzylidene)propane-1,3-diamine
CID 256920
N,N'-bis(2-hydroxy-3-Methoxy-benzylidene)ethylenediaMine
CID 5232078
1,2-Bis(2-hydroxy-3-methoxybenzylidene)hydrazine
CID 135473163
4-Hydroxy-3-methoxybenzaldehyde 2-((4-hydroxy-3-methoxyphenyl)methylene)hydrazone
CID 74331
N,N'-Dodecamethylenebis(2-hydroxy-3-methoxybenzylamine)
CID 4535167
N,N'-bis[(E)-(2-hydroxy-3-methoxy-phenyl)methyleneamino]oxamide
CID 135460566
2-[(4-Benzyl-piperazin-1-ylimino)-methyl]-6-methoxy-phenol
CID 135576943
N'-(2-hydroxy-3-methoxybenzylidene)-3-methylbenzohydrazide
CID 135479709
2-[[(2-Hydroxy-3-methoxyphenyl)methylamino]methyl]-6-methoxyphenol
CID 272816

Frequently Asked Questions

What is the IUPAC name of 2-[[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]methyl]-6-methoxyphenol?
The IUPAC name of 2-[[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]methyl]-6-methoxyphenol (CID 137288425) is 2-[[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-[[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]methyl]-6-methoxyphenol?
The canonical SMILES for 2-[[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]methyl]-6-methoxyphenol is COc1cccc(/C=N/NCc2cccc(OC)c2O)c1O.
What is the InChIKey of 2-[[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]methyl]-6-methoxyphenol?
The InChIKey is KIZPEYXLGZDVJX-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-21-13-7-3-5-11(15(13)19)9-17-18-10-12-6-4-8-14(22-2)16(12)20/h3-9,18-20H,10H2,1-2H3/b17-9+.
What are the key properties of 2-[[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]methyl]-6-methoxyphenol?
2-[[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]methyl]-6-methoxyphenol has a molecular weight of 302.33 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]methyl]-6-methoxyphenol is sourced from PubChem (CID 137288425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).