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

C22H26N2O5 — CID 135775658

IUPAC8-[(2E)-2-[(2-hydroxy-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid
SMILESO=C(O)CCCCCCC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1O
InChIInChI=1S/C22H26N2O5/c25-20-14-19(29-16-17-8-4-3-5-9-17)13-12-18(20)15-23-24-21(26)10-6-1-2-7-11-22(27)28/h3-5,8-9,12-15,25H,1-2,6-7,10-11,16H2,(H,24,26)(H,27,28)/b23-15+
InChIKeyKCPYTULTVGLSHX-HZHRSRAPSA-N
MW398.46 g/mol
LogP3.85
Rot. Bonds12

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

8-[(2E)-2-[(2-hydroxy-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid (PubChem CID 135775658) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is 8-[(2E)-2-[(2-hydroxy-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid.

Molecular Properties

Compound Name8-[(2E)-2-[(2-hydroxy-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid
PubChem CID135775658
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Name8-[(2E)-2-[(2-hydroxy-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid
SMILESO=C(O)CCCCCCC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1O
InChIInChI=1S/C22H26N2O5/c25-20-14-19(29-16-17-8-4-3-5-9-17)13-12-18(20)15-23-24-21(26)10-6-1-2-7-11-22(27)28/h3-5,8-9,12-15,25H,1-2,6-7,10-11,16H2,(H,24,26)(H,27,28)/b23-15+
InChIKeyKCPYTULTVGLSHX-HZHRSRAPSA-N
XLogP3.85
TPSA108.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.85
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-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid
CID 135665742
N,N'-bis[(Z)-(2-phenylmethoxyphenyl)methylideneamino]heptanediamide
CID 6089663
N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]dodecanediamide
CID 3615111
N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]octanediamide
CID 4632012
1-[(E)-(2-hydroxy-4-phenylmethoxyphenyl)methylideneamino]-3-methylthiourea
CID 139086277
N-[(4-phenylmethoxyphenyl)methylideneamino]hexadecanamide
CID 3861652
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]dodecanamide
CID 6302563
N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]decanediamide
CID 135555032
N,N'-bis[(4-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 3730577
N,N'-bis[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]nonanediamide
CID 51062342
N,N'-bis[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]heptanediamide
CID 6263316
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 98079441

Frequently Asked Questions

What is the IUPAC name of 8-[(2E)-2-[(2-hydroxy-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid?
The IUPAC name of 8-[(2E)-2-[(2-hydroxy-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid (CID 135775658) is 8-[(2E)-2-[(2-hydroxy-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid.
What is the SMILES notation for 8-[(2E)-2-[(2-hydroxy-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid?
The canonical SMILES for 8-[(2E)-2-[(2-hydroxy-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid is O=C(O)CCCCCCC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1O.
What is the InChIKey of 8-[(2E)-2-[(2-hydroxy-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid?
The InChIKey is KCPYTULTVGLSHX-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H26N2O5/c25-20-14-19(29-16-17-8-4-3-5-9-17)13-12-18(20)15-23-24-21(26)10-6-1-2-7-11-22(27)28/h3-5,8-9,12-15,25H,1-2,6-7,10-11,16H2,(H,24,26)(H,27,28)/b23-15+.
What are the key properties of 8-[(2E)-2-[(2-hydroxy-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid?
8-[(2E)-2-[(2-hydroxy-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid has a molecular weight of 398.46 g/mol, XLogP of 3.85, 12 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-phenylmethoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid is sourced from PubChem (CID 135775658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).