2-bromo-6-ethoxy-4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol

C16H17BrN2O3 — CID 136786911

IUPAC2-bromo-6-ethoxy-4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol
SMILESCCOc1cc(/C=N/Nc2ccc(OC)cc2)cc(Br)c1O
InChIInChI=1S/C16H17BrN2O3/c1-3-22-15-9-11(8-14(17)16(15)20)10-18-19-12-4-6-13(21-2)7-5-12/h4-10,19-20H,3H2,1-2H3/b18-10+
InChIKeyQWBOILYHKBOHIY-VCHYOVAHSA-N
MW365.23 g/mol
LogP4.01
Rot. Bonds6

About 2-bromo-6-ethoxy-4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol

2-bromo-6-ethoxy-4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol (PubChem CID 136786911) has the molecular formula C16H17BrN2O3 and a molecular weight of 365.23 g/mol. Its IUPAC name is 2-bromo-6-ethoxy-4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-ethoxy-4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol
PubChem CID136786911
Molecular FormulaC16H17BrN2O3
Molecular Weight365.23 g/mol
Exact Mass364.04
IUPAC Name2-bromo-6-ethoxy-4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol
SMILESCCOc1cc(/C=N/Nc2ccc(OC)cc2)cc(Br)c1O
InChIInChI=1S/C16H17BrN2O3/c1-3-22-15-9-11(8-14(17)16(15)20)10-18-19-12-4-6-13(21-2)7-5-12/h4-10,19-20H,3H2,1-2H3/b18-10+
InChIKeyQWBOILYHKBOHIY-VCHYOVAHSA-N
XLogP4.01
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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-bromo-6-ethoxy-4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]phenol
CID 136712180
2-bromo-6-ethoxy-4-(hydroxyiminomethyl)phenol
CID 4155437
methyl N-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]carbamate
CID 135852617
N-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-4-methoxyaniline
CID 110509009
4-[(2Z)-2-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylidene]hydrazinyl]benzoate
CID 9013303
[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]urea
CID 135851177
2-bromo-6-ethoxy-4-[(Z)-[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]phenol
CID 137031252
4-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-2-bromo-6-ethoxyphenol
CID 135590048
N-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-4-chloroaniline
CID 110506158
2-bromo-6-methoxy-4-[[(3-methylphenyl)hydrazinylidene]methyl]phenol
CID 5068133
N-[(E)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-methoxyaniline
CID 110508914
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 137122703

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-ethoxy-4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-bromo-6-ethoxy-4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol (CID 136786911) is 2-bromo-6-ethoxy-4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-bromo-6-ethoxy-4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-bromo-6-ethoxy-4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol is CCOc1cc(/C=N/Nc2ccc(OC)cc2)cc(Br)c1O.
What is the InChIKey of 2-bromo-6-ethoxy-4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol?
The InChIKey is QWBOILYHKBOHIY-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H17BrN2O3/c1-3-22-15-9-11(8-14(17)16(15)20)10-18-19-12-4-6-13(21-2)7-5-12/h4-10,19-20H,3H2,1-2H3/b18-10+.
What are the key properties of 2-bromo-6-ethoxy-4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol?
2-bromo-6-ethoxy-4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol has a molecular weight of 365.23 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-ethoxy-4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 136786911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).