2-bromo-4-[(E)-(dimethylhydrazinylidene)methyl]-6-methoxyphenol

C10H13BrN2O2 — CID 135675965

IUPAC2-bromo-4-[(E)-(dimethylhydrazinylidene)methyl]-6-methoxyphenol
SMILESCOc1cc(/C=N/N(C)C)cc(Br)c1O
InChIInChI=1S/C10H13BrN2O2/c1-13(2)12-6-7-4-8(11)10(14)9(5-7)15-3/h4-6,14H,1-3H3/b12-6+
InChIKeyBHLOYQWOOJJHHU-WUXMJOGZSA-N
MW273.13 g/mol
LogP2.06
Rot. Bonds3

About 2-bromo-4-[(E)-(dimethylhydrazinylidene)methyl]-6-methoxyphenol

2-bromo-4-[(E)-(dimethylhydrazinylidene)methyl]-6-methoxyphenol (PubChem CID 135675965) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-bromo-4-[(E)-(dimethylhydrazinylidene)methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-bromo-4-[(E)-(dimethylhydrazinylidene)methyl]-6-methoxyphenol
PubChem CID135675965
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name2-bromo-4-[(E)-(dimethylhydrazinylidene)methyl]-6-methoxyphenol
SMILESCOc1cc(/C=N/N(C)C)cc(Br)c1O
InChIInChI=1S/C10H13BrN2O2/c1-13(2)12-6-7-4-8(11)10(14)9(5-7)15-3/h4-6,14H,1-3H3/b12-6+
InChIKeyBHLOYQWOOJJHHU-WUXMJOGZSA-N
XLogP2.06
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Malononitrile, 5-bromovanillylidene-
CID 57591
4-Bromo-2-[[(2-hydroxyethyl)imino]methyl]-6-methoxyphenol
CID 136076120
(E)-2-bromo-4-(((3-ethyl-5-mercapto-4H-1,2,4-triazol-4-yl)imino)methyl)-6-methoxyphenol
CID 135623349
3-Bromo-5-methoxy-4-propoxybenzaldehyde oxime
CID 6864704
3-Bromo-5-ethoxy-4-(2-propyn-1-yloxy)benzaldehyde oxime
CID 6898142
N'-(3-bromo-4-hydroxy-5-methoxybenzylidene)hexanohydrazide
CID 135401371
2-bromo-6-methoxy-4-[(E)-(4-methyl-2-methylimino-1,3-thiazol-3-yl)iminomethyl]phenol
CID 135519890
2-bromo-4-[(E)-(2-ethylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]-6-methoxyphenol
CID 135519891
2-bromo-4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-6-methoxyphenol
CID 135519970
3-Bromo-4,5-diethoxybenzaldehyde oxime
CID 9618062
3-Bromo-4-butoxy-5-ethoxybenzaldehyde oxime
CID 19579917
1-(2-bromo-5-hydroxy-4-methoxyphenyl)-N-tert-butylmethanimine oxide
CID 53319916

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(E)-(dimethylhydrazinylidene)methyl]-6-methoxyphenol?
The IUPAC name of 2-bromo-4-[(E)-(dimethylhydrazinylidene)methyl]-6-methoxyphenol (CID 135675965) is 2-bromo-4-[(E)-(dimethylhydrazinylidene)methyl]-6-methoxyphenol.
What is the SMILES notation for 2-bromo-4-[(E)-(dimethylhydrazinylidene)methyl]-6-methoxyphenol?
The canonical SMILES for 2-bromo-4-[(E)-(dimethylhydrazinylidene)methyl]-6-methoxyphenol is COc1cc(/C=N/N(C)C)cc(Br)c1O.
What is the InChIKey of 2-bromo-4-[(E)-(dimethylhydrazinylidene)methyl]-6-methoxyphenol?
The InChIKey is BHLOYQWOOJJHHU-WUXMJOGZSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-13(2)12-6-7-4-8(11)10(14)9(5-7)15-3/h4-6,14H,1-3H3/b12-6+.
What are the key properties of 2-bromo-4-[(E)-(dimethylhydrazinylidene)methyl]-6-methoxyphenol?
2-bromo-4-[(E)-(dimethylhydrazinylidene)methyl]-6-methoxyphenol has a molecular weight of 273.13 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(E)-(dimethylhydrazinylidene)methyl]-6-methoxyphenol is sourced from PubChem (CID 135675965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).