2-methoxy-4-[(E)-[(4-phenyl-1,3-selenazol-2-yl)hydrazinylidene]methyl]phenol

C17H15N3O2Se — CID 135613084

IUPAC2-methoxy-4-[(E)-[(4-phenyl-1,3-selenazol-2-yl)hydrazinylidene]methyl]phenol
SMILESCOc1cc(/C=N/Nc2nc(-c3ccccc3)c[se]2)ccc1O
InChIInChI=1S/C17H15N3O2Se/c1-22-16-9-12(7-8-15(16)21)10-18-20-17-19-14(11-23-17)13-5-3-2-4-6-13/h2-11,21H,1H3,(H,19,20)/b18-10+
InChIKeyBQEFULDEFUEWKF-VCHYOVAHSA-N
MW372.29 g/mol
LogP2.97
Rot. Bonds5

About 2-methoxy-4-[(E)-[(4-phenyl-1,3-selenazol-2-yl)hydrazinylidene]methyl]phenol

2-methoxy-4-[(E)-[(4-phenyl-1,3-selenazol-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 135613084) has the molecular formula C17H15N3O2Se and a molecular weight of 372.29 g/mol. Its IUPAC name is 2-methoxy-4-[(E)-[(4-phenyl-1,3-selenazol-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[(E)-[(4-phenyl-1,3-selenazol-2-yl)hydrazinylidene]methyl]phenol
PubChem CID135613084
Molecular FormulaC17H15N3O2Se
Molecular Weight372.29 g/mol
Exact Mass373.03
IUPAC Name2-methoxy-4-[(E)-[(4-phenyl-1,3-selenazol-2-yl)hydrazinylidene]methyl]phenol
SMILESCOc1cc(/C=N/Nc2nc(-c3ccccc3)c[se]2)ccc1O
InChIInChI=1S/C17H15N3O2Se/c1-22-16-9-12(7-8-15(16)21)10-18-20-17-19-14(11-23-17)13-5-3-2-4-6-13/h2-11,21H,1H3,(H,19,20)/b18-10+
InChIKeyBQEFULDEFUEWKF-VCHYOVAHSA-N
XLogP2.97
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.29
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', '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

4-[[[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-2-methoxyphenol
CID 2867287
4-[(E)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-methoxyphenol
CID 135489944
4-[[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-methoxyphenol
CID 2861744
2-methoxy-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 3709889
4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-methoxyphenol
CID 135576406
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4,6-diphenylpyrimidin-2-amine
CID 5338271
2-methoxy-4-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol
CID 135411435
2-methoxy-4-[(E)-[(2-methylquinolin-4-yl)hydrazinylidene]methyl]phenol
CID 137266020
4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]-2-methoxyphenol
CID 137251415
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
CID 136791885
3-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one
CID 135715726
2-methoxy-4-[(E)-[[4-[(2-methoxyphenyl)methyl]-6-(4-methylphenyl)pyridazin-3-yl]hydrazinylidene]methyl]phenol
CID 135879390

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(E)-[(4-phenyl-1,3-selenazol-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-methoxy-4-[(E)-[(4-phenyl-1,3-selenazol-2-yl)hydrazinylidene]methyl]phenol (CID 135613084) is 2-methoxy-4-[(E)-[(4-phenyl-1,3-selenazol-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-methoxy-4-[(E)-[(4-phenyl-1,3-selenazol-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-methoxy-4-[(E)-[(4-phenyl-1,3-selenazol-2-yl)hydrazinylidene]methyl]phenol is COc1cc(/C=N/Nc2nc(-c3ccccc3)c[se]2)ccc1O.
What is the InChIKey of 2-methoxy-4-[(E)-[(4-phenyl-1,3-selenazol-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is BQEFULDEFUEWKF-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H15N3O2Se/c1-22-16-9-12(7-8-15(16)21)10-18-20-17-19-14(11-23-17)13-5-3-2-4-6-13/h2-11,21H,1H3,(H,19,20)/b18-10+.
What are the key properties of 2-methoxy-4-[(E)-[(4-phenyl-1,3-selenazol-2-yl)hydrazinylidene]methyl]phenol?
2-methoxy-4-[(E)-[(4-phenyl-1,3-selenazol-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 372.29 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(E)-[(4-phenyl-1,3-selenazol-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135613084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).