2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]ethanol

C10H12BrNO4 — CID 57368753

IUPAC2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]ethanol
SMILESCOc1cc(C=NO)c(Br)cc1OCCO
InChIInChI=1S/C10H12BrNO4/c1-15-9-4-7(6-12-14)8(11)5-10(9)16-3-2-13/h4-6,13-14H,2-3H2,1H3
InChIKeyOUGRCZAVXKNYEL-UHFFFAOYSA-N
MW290.11 g/mol
LogP1.64
Rot. Bonds5

About 2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]ethanol

2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]ethanol (PubChem CID 57368753) has the molecular formula C10H12BrNO4 and a molecular weight of 290.11 g/mol. Its IUPAC name is 2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]ethanol.

Molecular Properties

Compound Name2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]ethanol
PubChem CID57368753
Molecular FormulaC10H12BrNO4
Molecular Weight290.11 g/mol
Exact Mass288.99
IUPAC Name2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]ethanol
SMILESCOc1cc(C=NO)c(Br)cc1OCCO
InChIInChI=1S/C10H12BrNO4/c1-15-9-4-7(6-12-14)8(11)5-10(9)16-3-2-13/h4-6,13-14H,2-3H2,1H3
InChIKeyOUGRCZAVXKNYEL-UHFFFAOYSA-N
XLogP1.64
TPSA71.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.11
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[5-bromo-4-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]acetamide
CID 19617611
N-[[2-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine
CID 3450844
3-[2-bromo-4-(2-hydroxyethoxy)-5-methoxyphenyl]prop-2-enoic acid
CID 57368751
(NZ)-N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine
CID 91689795
2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]-N-phenylacetamide
CID 57365578
2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 1225246
(NZ)-N-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylidene]hydroxylamine
CID 6299617
1-(2-bromo-4,5-dimethoxyphenyl)-N-[4-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]phenyl]methanimine
CID 101215350
N-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]acetamide
CID 954154
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-methylacetamide
CID 7568725
2-[4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenoxy]ethanol
CID 19617662
[(E)-[2-bromo-5-methoxy-4-(2-phenylethoxy)phenyl]methylideneamino]urea
CID 19617566

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]ethanol?
The IUPAC name of 2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]ethanol (CID 57368753) is 2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]ethanol.
What is the SMILES notation for 2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]ethanol?
The canonical SMILES for 2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]ethanol is COc1cc(C=NO)c(Br)cc1OCCO.
What is the InChIKey of 2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]ethanol?
The InChIKey is OUGRCZAVXKNYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO4/c1-15-9-4-7(6-12-14)8(11)5-10(9)16-3-2-13/h4-6,13-14H,2-3H2,1H3.
What are the key properties of 2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]ethanol?
2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]ethanol has a molecular weight of 290.11 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]ethanol is sourced from PubChem (CID 57368753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).