2-bromo-6-ethoxy-4-(hydroxyiminomethyl)phenol

C9H10BrNO3 — CID 4155437

IUPAC2-bromo-6-ethoxy-4-(hydroxyiminomethyl)phenol
SMILESCCOc1cc(C=NO)cc(Br)c1O
InChIInChI=1S/C9H10BrNO3/c1-2-14-8-4-6(5-11-13)3-7(10)9(8)12/h3-5,12-13H,2H2,1H3
InChIKeyHLFPCKOFKFUDOZ-UHFFFAOYSA-N
MW260.09 g/mol
LogP2.36
Rot. Bonds3

About 2-bromo-6-ethoxy-4-(hydroxyiminomethyl)phenol

2-bromo-6-ethoxy-4-(hydroxyiminomethyl)phenol (PubChem CID 4155437) has the molecular formula C9H10BrNO3 and a molecular weight of 260.09 g/mol. Its IUPAC name is 2-bromo-6-ethoxy-4-(hydroxyiminomethyl)phenol.

Molecular Properties

Compound Name2-bromo-6-ethoxy-4-(hydroxyiminomethyl)phenol
PubChem CID4155437
Molecular FormulaC9H10BrNO3
Molecular Weight260.09 g/mol
Exact Mass258.98
IUPAC Name2-bromo-6-ethoxy-4-(hydroxyiminomethyl)phenol
SMILESCCOc1cc(C=NO)cc(Br)c1O
InChIInChI=1S/C9H10BrNO3/c1-2-14-8-4-6(5-11-13)3-7(10)9(8)12/h3-5,12-13H,2H2,1H3
InChIKeyHLFPCKOFKFUDOZ-UHFFFAOYSA-N
XLogP2.36
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 136786911
methyl N-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]carbamate
CID 135852617
[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]urea
CID 135851177
2-bromo-4-[(3,4-dimethylphenyl)iminomethyl]-6-ethoxyphenol
CID 137059390
2-[2-bromo-6-ethoxy-4-[(Z)-hydroxyiminomethyl]phenoxy]acetic acid
CID 5412063
(NE)-N-[(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methylidene]hydroxylamine
CID 6898142
N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide
CID 135433204
2-ethoxy-4-[(Z)-hydroxyiminomethyl]-6-nitrophenol
CID 136911315
ethyl 2-[2-bromo-6-ethoxy-4-(hydroxyiminomethyl)phenoxy]acetate
CID 57361037
(NZ)-N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide
CID 136873764
2-ethoxy-4-[(Z)-hydroxyiminomethyl]phenol
CID 135832909

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-ethoxy-4-(hydroxyiminomethyl)phenol?
The IUPAC name of 2-bromo-6-ethoxy-4-(hydroxyiminomethyl)phenol (CID 4155437) is 2-bromo-6-ethoxy-4-(hydroxyiminomethyl)phenol.
What is the SMILES notation for 2-bromo-6-ethoxy-4-(hydroxyiminomethyl)phenol?
The canonical SMILES for 2-bromo-6-ethoxy-4-(hydroxyiminomethyl)phenol is CCOc1cc(C=NO)cc(Br)c1O.
What is the InChIKey of 2-bromo-6-ethoxy-4-(hydroxyiminomethyl)phenol?
The InChIKey is HLFPCKOFKFUDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO3/c1-2-14-8-4-6(5-11-13)3-7(10)9(8)12/h3-5,12-13H,2H2,1H3.
What are the key properties of 2-bromo-6-ethoxy-4-(hydroxyiminomethyl)phenol?
2-bromo-6-ethoxy-4-(hydroxyiminomethyl)phenol has a molecular weight of 260.09 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-ethoxy-4-(hydroxyiminomethyl)phenol is sourced from PubChem (CID 4155437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).