triethyl-[(3-formyl-4-hydroxyphenyl)methyl]azanium

C14H22NO2+ — CID 15821532

IUPACtriethyl-[(3-formyl-4-hydroxyphenyl)methyl]azanium
SMILESCC[N+](CC)(CC)Cc1ccc(O)c(C=O)c1
InChIInChI=1S/C14H21NO2/c1-4-15(5-2,6-3)10-12-7-8-14(17)13(9-12)11-16/h7-9,11H,4-6,10H2,1-3H3/p+1
InChIKeyVIAHIXZBNGLAAC-UHFFFAOYSA-O
MW236.34 g/mol
LogP2.58
Rot. Bonds6

About triethyl-[(3-formyl-4-hydroxyphenyl)methyl]azanium

triethyl-[(3-formyl-4-hydroxyphenyl)methyl]azanium (PubChem CID 15821532) has the molecular formula C14H22NO2+ and a molecular weight of 236.34 g/mol. Its IUPAC name is triethyl-[(3-formyl-4-hydroxyphenyl)methyl]azanium.

Molecular Properties

Compound Nametriethyl-[(3-formyl-4-hydroxyphenyl)methyl]azanium
PubChem CID15821532
Molecular FormulaC14H22NO2+
Molecular Weight236.34 g/mol
Exact Mass236.16
IUPAC Nametriethyl-[(3-formyl-4-hydroxyphenyl)methyl]azanium
SMILESCC[N+](CC)(CC)Cc1ccc(O)c(C=O)c1
InChIInChI=1S/C14H21NO2/c1-4-15(5-2,6-3)10-12-7-8-14(17)13(9-12)11-16/h7-9,11H,4-6,10H2,1-3H3/p+1
InChIKeyVIAHIXZBNGLAAC-UHFFFAOYSA-O
XLogP2.58
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

triethyl-[(3-formyl-4-hydroxy-5-methylphenyl)methyl]azanium
CID 122631501
benzyl-[(3-formyl-4-hydroxyphenyl)methyl]-dimethylazanium chloride
CID 141482470
2-hydroxy-5-(2-oxopropyl)benzaldehyde
CID 130776393
magnesium;hydride;2-hydroxy-5-nonylbenzaldehyde
CID 174742388
2-hydroxy-5-(2-phenylethyl)benzaldehyde
CID 101003215
5-[[3-[(3-formyl-4-hydroxyphenyl)methyl]-2-hydroxy-5-propylphenyl]methyl]-2-hydroxybenzaldehyde
CID 87221764
5-[[5-butyl-3-[(3-formyl-4-hydroxyphenyl)methyl]-2-hydroxyphenyl]methyl]-2-hydroxybenzaldehyde
CID 87221690
N-[2-(3-formyl-4-hydroxyphenyl)ethyl]-methylboronamidic acid
CID 166045297
2-hydroxy-5-(4-phenylbutyl)benzaldehyde
CID 166610719
2-hydroxy-5-(pyridin-1-ium-1-ylmethyl)benzaldehyde chloride
CID 44888822
2-hydroxy-5-sulfanylbenzaldehyde
CID 90836240
2-hydroxy-5-[1,2,2-tris(3-formyl-4-hydroxyphenyl)ethenyl]benzaldehyde
CID 146013313

Frequently Asked Questions

What is the IUPAC name of triethyl-[(3-formyl-4-hydroxyphenyl)methyl]azanium?
The IUPAC name of triethyl-[(3-formyl-4-hydroxyphenyl)methyl]azanium (CID 15821532) is triethyl-[(3-formyl-4-hydroxyphenyl)methyl]azanium.
What is the SMILES notation for triethyl-[(3-formyl-4-hydroxyphenyl)methyl]azanium?
The canonical SMILES for triethyl-[(3-formyl-4-hydroxyphenyl)methyl]azanium is CC[N+](CC)(CC)Cc1ccc(O)c(C=O)c1.
What is the InChIKey of triethyl-[(3-formyl-4-hydroxyphenyl)methyl]azanium?
The InChIKey is VIAHIXZBNGLAAC-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H21NO2/c1-4-15(5-2,6-3)10-12-7-8-14(17)13(9-12)11-16/h7-9,11H,4-6,10H2,1-3H3/p+1.
What are the key properties of triethyl-[(3-formyl-4-hydroxyphenyl)methyl]azanium?
triethyl-[(3-formyl-4-hydroxyphenyl)methyl]azanium has a molecular weight of 236.34 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(3-formyl-4-hydroxyphenyl)methyl]azanium is sourced from PubChem (CID 15821532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).