(2E)-2-hydroxyimino-1-(2,3,4-trimethoxyphenyl)ethanone

C11H13NO5 — CID 121222968

IUPAC(2E)-2-hydroxyimino-1-(2,3,4-trimethoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)/C=N/O)c(OC)c1OC
InChIInChI=1S/C11H13NO5/c1-15-9-5-4-7(8(13)6-12-14)10(16-2)11(9)17-3/h4-6,14H,1-3H3/b12-6+
InChIKeyOBWVLIANCRUEHS-WUXMJOGZSA-N
MW239.23 g/mol
LogP1.36
Rot. Bonds5

About (2E)-2-hydroxyimino-1-(2,3,4-trimethoxyphenyl)ethanone

(2E)-2-hydroxyimino-1-(2,3,4-trimethoxyphenyl)ethanone (PubChem CID 121222968) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is (2E)-2-hydroxyimino-1-(2,3,4-trimethoxyphenyl)ethanone.

Molecular Properties

Compound Name(2E)-2-hydroxyimino-1-(2,3,4-trimethoxyphenyl)ethanone
PubChem CID121222968
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name(2E)-2-hydroxyimino-1-(2,3,4-trimethoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)/C=N/O)c(OC)c1OC
InChIInChI=1S/C11H13NO5/c1-15-9-5-4-7(8(13)6-12-14)10(16-2)11(9)17-3/h4-6,14H,1-3H3/b12-6+
InChIKeyOBWVLIANCRUEHS-WUXMJOGZSA-N
XLogP1.36
TPSA77.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

methyl 2,3,4-trimethoxybenzenecarboperoxoate
CID 173266032
N'-hydroxy-2,3,4-trimethoxybenzenecarboximidamide
CID 43140206
(E)-3-(3,5-difluoro-4-methoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 10215648
3,3,3-trifluoro-1-(2,3,4-trimethoxyphenyl)propan-1-one
CID 43588937
tert-butyl 2,3,4-trimethoxybenzoate
CID 63897006
(2E)-2-hydroxyimino-1-(3,4,5-trimethoxyphenyl)ethanone;1-(3,4,5-trimethoxyphenyl)ethanone
CID 172943589
(4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanone
CID 43588922
(Z)-3-bromo-3-(2,3,4-trimethoxyphenyl)prop-2-enal
CID 175146337
(E)-3-(4-ethoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 5379227
(E)-3-(2-hydroxy-5-methoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 162624464
2,3,4-trimethoxy-N-prop-2-enylbenzamide
CID 7971428
1-(2-hydroxy-3,4-dimethoxyphenyl)but-2-en-1-one
CID 70517887

Frequently Asked Questions

What is the IUPAC name of (2E)-2-hydroxyimino-1-(2,3,4-trimethoxyphenyl)ethanone?
The IUPAC name of (2E)-2-hydroxyimino-1-(2,3,4-trimethoxyphenyl)ethanone (CID 121222968) is (2E)-2-hydroxyimino-1-(2,3,4-trimethoxyphenyl)ethanone.
What is the SMILES notation for (2E)-2-hydroxyimino-1-(2,3,4-trimethoxyphenyl)ethanone?
The canonical SMILES for (2E)-2-hydroxyimino-1-(2,3,4-trimethoxyphenyl)ethanone is COc1ccc(C(=O)/C=N/O)c(OC)c1OC.
What is the InChIKey of (2E)-2-hydroxyimino-1-(2,3,4-trimethoxyphenyl)ethanone?
The InChIKey is OBWVLIANCRUEHS-WUXMJOGZSA-N. The full InChI is InChI=1S/C11H13NO5/c1-15-9-5-4-7(8(13)6-12-14)10(16-2)11(9)17-3/h4-6,14H,1-3H3/b12-6+.
What are the key properties of (2E)-2-hydroxyimino-1-(2,3,4-trimethoxyphenyl)ethanone?
(2E)-2-hydroxyimino-1-(2,3,4-trimethoxyphenyl)ethanone has a molecular weight of 239.23 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydroxyimino-1-(2,3,4-trimethoxyphenyl)ethanone is sourced from PubChem (CID 121222968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).