[2,4,6-triethyl-3-[(E)-hydroxyiminomethyl]phenyl]methanol

C14H21NO2 — CID 6891493

IUPAC[2,4,6-triethyl-3-[(E)-hydroxyiminomethyl]phenyl]methanol
SMILESCCc1cc(CC)c(CO)c(CC)c1/C=N/O
InChIInChI=1S/C14H21NO2/c1-4-10-7-11(5-2)14(9-16)12(6-3)13(10)8-15-17/h7-8,16-17H,4-6,9H2,1-3H3/b15-8+
InChIKeyBBHDVUIOGNDJGN-OVCLIPMQSA-N
MW235.33 g/mol
LogP2.67
Rot. Bonds5

About [2,4,6-triethyl-3-[(E)-hydroxyiminomethyl]phenyl]methanol

[2,4,6-triethyl-3-[(E)-hydroxyiminomethyl]phenyl]methanol (PubChem CID 6891493) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is [2,4,6-triethyl-3-[(E)-hydroxyiminomethyl]phenyl]methanol.

Molecular Properties

Compound Name[2,4,6-triethyl-3-[(E)-hydroxyiminomethyl]phenyl]methanol
PubChem CID6891493
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name[2,4,6-triethyl-3-[(E)-hydroxyiminomethyl]phenyl]methanol
SMILESCCc1cc(CC)c(CO)c(CC)c1/C=N/O
InChIInChI=1S/C14H21NO2/c1-4-10-7-11(5-2)14(9-16)12(6-3)13(10)8-15-17/h7-8,16-17H,4-6,9H2,1-3H3/b15-8+
InChIKeyBBHDVUIOGNDJGN-OVCLIPMQSA-N
XLogP2.67
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

Analyze [2,4,6-triethyl-3-[(E)-hydroxyiminomethyl]phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2,4,6-triethyl-3-[(E)-hydroxyiminomethyl]phenyl]methanol?
The IUPAC name of [2,4,6-triethyl-3-[(E)-hydroxyiminomethyl]phenyl]methanol (CID 6891493) is [2,4,6-triethyl-3-[(E)-hydroxyiminomethyl]phenyl]methanol.
What is the SMILES notation for [2,4,6-triethyl-3-[(E)-hydroxyiminomethyl]phenyl]methanol?
The canonical SMILES for [2,4,6-triethyl-3-[(E)-hydroxyiminomethyl]phenyl]methanol is CCc1cc(CC)c(CO)c(CC)c1/C=N/O.
What is the InChIKey of [2,4,6-triethyl-3-[(E)-hydroxyiminomethyl]phenyl]methanol?
The InChIKey is BBHDVUIOGNDJGN-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-10-7-11(5-2)14(9-16)12(6-3)13(10)8-15-17/h7-8,16-17H,4-6,9H2,1-3H3/b15-8+.
What are the key properties of [2,4,6-triethyl-3-[(E)-hydroxyiminomethyl]phenyl]methanol?
[2,4,6-triethyl-3-[(E)-hydroxyiminomethyl]phenyl]methanol has a molecular weight of 235.33 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4,6-triethyl-3-[(E)-hydroxyiminomethyl]phenyl]methanol is sourced from PubChem (CID 6891493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).