8-[(2E)-2-[(2-hydroxy-4-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid

C16H22N2O5 — CID 135665742

IUPAC8-[(2E)-2-[(2-hydroxy-4-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid
SMILESCOc1ccc(/C=N/NC(=O)CCCCCCC(=O)O)c(O)c1
InChIInChI=1S/C16H22N2O5/c1-23-13-9-8-12(14(19)10-13)11-17-18-15(20)6-4-2-3-5-7-16(21)22/h8-11,19H,2-7H2,1H3,(H,18,20)(H,21,22)/b17-11+
InChIKeyQJEXOUMANFMDNT-GZTJUZNOSA-N
MW322.36 g/mol
LogP2.28
Rot. Bonds10

About 8-[(2E)-2-[(2-hydroxy-4-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid

8-[(2E)-2-[(2-hydroxy-4-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid (PubChem CID 135665742) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is 8-[(2E)-2-[(2-hydroxy-4-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid.

Molecular Properties

Compound Name8-[(2E)-2-[(2-hydroxy-4-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid
PubChem CID135665742
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name8-[(2E)-2-[(2-hydroxy-4-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid
SMILESCOc1ccc(/C=N/NC(=O)CCCCCCC(=O)O)c(O)c1
InChIInChI=1S/C16H22N2O5/c1-23-13-9-8-12(14(19)10-13)11-17-18-15(20)6-4-2-3-5-7-16(21)22/h8-11,19H,2-7H2,1H3,(H,18,20)(H,21,22)/b17-11+
InChIKeyQJEXOUMANFMDNT-GZTJUZNOSA-N
XLogP2.28
TPSA108.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

8-[(2E)-2-[(2-hydroxy-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid
CID 135775658
N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]hexadecanamide
CID 136806672
N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]octanediamide
CID 4632012
N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]dodecanediamide
CID 3615111
N'-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-N-(2-hydroxyphenyl)heptanediamide
CID 44506961
N-[(Z)-(2-bromo-5-methoxyphenyl)methylideneamino]octadecanamide
CID 124632237
[2-[(Z)-[[10-[(2Z)-2-[(2-acetyloxy-5-methoxyphenyl)methylidene]hydrazinyl]-10-oxodecanoyl]hydrazinylidene]methyl]-4-methoxyphenyl] acetate
CID 98310557
8-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid
CID 135757722
N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide
CID 767055
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N'-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]butanediamide
CID 135458919
N-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
CID 135726599
2-hydroxy-N-[(Z)-(2-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 135883025

Frequently Asked Questions

What is the IUPAC name of 8-[(2E)-2-[(2-hydroxy-4-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid?
The IUPAC name of 8-[(2E)-2-[(2-hydroxy-4-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid (CID 135665742) is 8-[(2E)-2-[(2-hydroxy-4-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid.
What is the SMILES notation for 8-[(2E)-2-[(2-hydroxy-4-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid?
The canonical SMILES for 8-[(2E)-2-[(2-hydroxy-4-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid is COc1ccc(/C=N/NC(=O)CCCCCCC(=O)O)c(O)c1.
What is the InChIKey of 8-[(2E)-2-[(2-hydroxy-4-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid?
The InChIKey is QJEXOUMANFMDNT-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-23-13-9-8-12(14(19)10-13)11-17-18-15(20)6-4-2-3-5-7-16(21)22/h8-11,19H,2-7H2,1H3,(H,18,20)(H,21,22)/b17-11+.
What are the key properties of 8-[(2E)-2-[(2-hydroxy-4-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid?
8-[(2E)-2-[(2-hydroxy-4-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid has a molecular weight of 322.36 g/mol, XLogP of 2.28, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2E)-2-[(2-hydroxy-4-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid is sourced from PubChem (CID 135665742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).