2-hydroxyimino-2-(3,4,5-trimethoxyphenyl)acetaldehyde

C11H13NO5 — CID 87552843

IUPAC2-hydroxyimino-2-(3,4,5-trimethoxyphenyl)acetaldehyde
SMILESCOc1cc(C(C=O)=NO)cc(OC)c1OC
InChIInChI=1S/C11H13NO5/c1-15-9-4-7(8(6-13)12-14)5-10(16-2)11(9)17-3/h4-6,14H,1-3H3
InChIKeyKEWMATBYJPRIIE-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.09
Rot. Bonds5

About 2-hydroxyimino-2-(3,4,5-trimethoxyphenyl)acetaldehyde

2-hydroxyimino-2-(3,4,5-trimethoxyphenyl)acetaldehyde (PubChem CID 87552843) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-hydroxyimino-2-(3,4,5-trimethoxyphenyl)acetaldehyde.

Molecular Properties

Compound Name2-hydroxyimino-2-(3,4,5-trimethoxyphenyl)acetaldehyde
PubChem CID87552843
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name2-hydroxyimino-2-(3,4,5-trimethoxyphenyl)acetaldehyde
SMILESCOc1cc(C(C=O)=NO)cc(OC)c1OC
InChIInChI=1S/C11H13NO5/c1-15-9-4-7(8(6-13)12-14)5-10(16-2)11(9)17-3/h4-6,14H,1-3H3
InChIKeyKEWMATBYJPRIIE-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

N-[2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethylidene]hydroxylamine
CID 71424939
(2E)-2-hydroxyimino-1-(3,4,5-trimethoxyphenyl)ethanone;1-(3,4,5-trimethoxyphenyl)ethanone
CID 172943589
(3,4,5-trimethoxybenzoyl)sulfonyl-(3,4,5-trimethoxyphenyl)methanone
CID 88824717
(NZ)-N-[(E)-1-(4-aminophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enylidene]hydroxylamine
CID 155813789
ethane;3,4,5-trimethoxybenzaldehyde
CID 143400832
S-pyrimidin-2-yl 3,4,5-trimethoxybenzenecarbothioate
CID 4749807
N-ethenyl-3,4,5-trimethoxybenzamide
CID 102575963
CID 131885797
CID 131885797
[3,5-bis[(3,4,5-trimethoxybenzoyl)oxy]phenyl] 3,4,5-trimethoxybenzoate
CID 67989294
3,4,5-trimethoxy-N-sulfanylbenzamide
CID 59695341
sodium;molecular hydrogen;3,4,5-trimethoxybenzoate
CID 145079800
2-(3,4,5-trimethoxyphenyl)prop-2-enoyl chloride
CID 175261663

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyimino-2-(3,4,5-trimethoxyphenyl)acetaldehyde?
The IUPAC name of 2-hydroxyimino-2-(3,4,5-trimethoxyphenyl)acetaldehyde (CID 87552843) is 2-hydroxyimino-2-(3,4,5-trimethoxyphenyl)acetaldehyde.
What is the SMILES notation for 2-hydroxyimino-2-(3,4,5-trimethoxyphenyl)acetaldehyde?
The canonical SMILES for 2-hydroxyimino-2-(3,4,5-trimethoxyphenyl)acetaldehyde is COc1cc(C(C=O)=NO)cc(OC)c1OC.
What is the InChIKey of 2-hydroxyimino-2-(3,4,5-trimethoxyphenyl)acetaldehyde?
The InChIKey is KEWMATBYJPRIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c1-15-9-4-7(8(6-13)12-14)5-10(16-2)11(9)17-3/h4-6,14H,1-3H3.
What are the key properties of 2-hydroxyimino-2-(3,4,5-trimethoxyphenyl)acetaldehyde?
2-hydroxyimino-2-(3,4,5-trimethoxyphenyl)acetaldehyde has a molecular weight of 239.23 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyimino-2-(3,4,5-trimethoxyphenyl)acetaldehyde is sourced from PubChem (CID 87552843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).