2-[4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenoxy]ethanol

C10H12INO4 — CID 19617662

IUPAC2-[4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenoxy]ethanol
SMILESCOc1cc(/C=N/O)cc(I)c1OCCO
InChIInChI=1S/C10H12INO4/c1-15-9-5-7(6-12-14)4-8(11)10(9)16-3-2-13/h4-6,13-14H,2-3H2,1H3/b12-6+
InChIKeyQJQXIDJXKJQVOP-WUXMJOGZSA-N
MW337.11 g/mol
LogP1.48
Rot. Bonds5

About 2-[4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenoxy]ethanol

2-[4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenoxy]ethanol (PubChem CID 19617662) has the molecular formula C10H12INO4 and a molecular weight of 337.11 g/mol. Its IUPAC name is 2-[4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenoxy]ethanol
PubChem CID19617662
Molecular FormulaC10H12INO4
Molecular Weight337.11 g/mol
Exact Mass336.98
IUPAC Name2-[4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenoxy]ethanol
SMILESCOc1cc(/C=N/O)cc(I)c1OCCO
InChIInChI=1S/C10H12INO4/c1-15-9-5-7(6-12-14)4-8(11)10(9)16-3-2-13/h4-6,13-14H,2-3H2,1H3/b12-6+
InChIKeyQJQXIDJXKJQVOP-WUXMJOGZSA-N
XLogP1.48
TPSA71.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.11
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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

(NZ)-N-[(3-iodo-4,5-dimethoxyphenyl)methylidene]hydroxylamine
CID 5407943
N-[(3-ethoxy-5-iodo-4-propoxyphenyl)methylidene]hydroxylamine
CID 57360358
N-[[4-[(2-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]hydroxylamine
CID 1311678
(NZ)-N-[[3-iodo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylidene]hydroxylamine
CID 91682653
(NE)-N-[(3-chloro-5-methoxy-4-propoxyphenyl)methylidene]hydroxylamine
CID 19617932
2-[(3-iodo-5-methoxy-4-propoxyphenyl)methylideneamino]guanidine
CID 168592039
N-[[3-chloro-4-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]methylidene]hydroxylamine
CID 22686186
2-[4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 126269915
N-(2-chlorophenyl)-2-[4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenoxy]acetamide
CID 126277187
1,5-bis[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]penta-1,4-dien-3-one
CID 67519396
(NZ)-N-[(3-methoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methylidene]hydroxylamine
CID 126079797
N-[[3-chloro-5-methoxy-4-(3-phenylpropoxy)phenyl]methylidene]hydroxylamine
CID 22686123

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenoxy]ethanol?
The IUPAC name of 2-[4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenoxy]ethanol (CID 19617662) is 2-[4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenoxy]ethanol.
What is the SMILES notation for 2-[4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenoxy]ethanol?
The canonical SMILES for 2-[4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenoxy]ethanol is COc1cc(/C=N/O)cc(I)c1OCCO.
What is the InChIKey of 2-[4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenoxy]ethanol?
The InChIKey is QJQXIDJXKJQVOP-WUXMJOGZSA-N. The full InChI is InChI=1S/C10H12INO4/c1-15-9-5-7(6-12-14)4-8(11)10(9)16-3-2-13/h4-6,13-14H,2-3H2,1H3/b12-6+.
What are the key properties of 2-[4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenoxy]ethanol?
2-[4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenoxy]ethanol has a molecular weight of 337.11 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenoxy]ethanol is sourced from PubChem (CID 19617662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).