2-[1,2-bis(2,4,6-trimethylphenyl)ethyliminomethyl]phenol

C27H31NO — CID 142139974

IUPAC2-[1,2-bis(2,4,6-trimethylphenyl)ethyliminomethyl]phenol
SMILESCc1cc(C)c(CC(/N=C/c2ccccc2O)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C27H31NO/c1-17-11-19(3)24(20(4)12-17)15-25(27-21(5)13-18(2)14-22(27)6)28-16-23-9-7-8-10-26(23)29/h7-14,16,25,29H,15H2,1-6H3/b28-16+
InChIKeyQRSDIBGWDGFAMT-LQKURTRISA-N
MW385.55 g/mol
LogP6.65
Rot. Bonds5

About 2-[1,2-bis(2,4,6-trimethylphenyl)ethyliminomethyl]phenol

2-[1,2-bis(2,4,6-trimethylphenyl)ethyliminomethyl]phenol (PubChem CID 142139974) has the molecular formula C27H31NO and a molecular weight of 385.55 g/mol. Its IUPAC name is 2-[1,2-bis(2,4,6-trimethylphenyl)ethyliminomethyl]phenol.

Molecular Properties

Compound Name2-[1,2-bis(2,4,6-trimethylphenyl)ethyliminomethyl]phenol
PubChem CID142139974
Molecular FormulaC27H31NO
Molecular Weight385.55 g/mol
Exact Mass385.24
IUPAC Name2-[1,2-bis(2,4,6-trimethylphenyl)ethyliminomethyl]phenol
SMILESCc1cc(C)c(CC(/N=C/c2ccccc2O)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C27H31NO/c1-17-11-19(3)24(20(4)12-17)15-25(27-21(5)13-18(2)14-22(27)6)28-16-23-9-7-8-10-26(23)29/h7-14,16,25,29H,15H2,1-6H3/b28-16+
InChIKeyQRSDIBGWDGFAMT-LQKURTRISA-N
XLogP6.65
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.55
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[1,2-bis(2,4,6-trimethylphenyl)ethyliminomethyl]phenol with MolForge

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

Launch Full Analysis

Related Compounds

2,6-bis[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4-methylphenol
CID 136883517
2-[(3,5-dimethylphenyl)iminomethyl]phenol
CID 4108135
2-[[(2R)-2-[(2-hydroxyphenyl)methylideneamino]-2-phenylethyl]iminomethyl]phenol
CID 136694430
(2S)-2-[(2-hydroxyphenyl)methylideneamino]propanoic acid
CID 135440080
[(3R)-3-[(2-hydroxyphenyl)methylideneamino]-3-phenylpropyl] acetate
CID 138965852
2-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]phenol
CID 140572424
2-[(E)-[(Z)-(2-methylphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135478768
2-[(2-hydroxyphenyl)methyl]-3,5-dimethylphenol
CID 3742978
copper;(2S)-2-[(2-hydroxyphenyl)methylideneamino]-3-phenylpropanoic acid
CID 137349128
2-[[(2R)-1-hydroxy-4-methylpentan-2-yl]iminomethyl]phenol
CID 137105568
(2S)-2-[(2-hydroxyphenyl)methylideneamino]-3-methylpentanoic acid
CID 135753857
2-[[(2S)-1,1-bis(3,5-ditert-butylphenyl)-1-hydroxypropan-2-yl]iminomethyl]phenol
CID 136722731

Frequently Asked Questions

What is the IUPAC name of 2-[1,2-bis(2,4,6-trimethylphenyl)ethyliminomethyl]phenol?
The IUPAC name of 2-[1,2-bis(2,4,6-trimethylphenyl)ethyliminomethyl]phenol (CID 142139974) is 2-[1,2-bis(2,4,6-trimethylphenyl)ethyliminomethyl]phenol.
What is the SMILES notation for 2-[1,2-bis(2,4,6-trimethylphenyl)ethyliminomethyl]phenol?
The canonical SMILES for 2-[1,2-bis(2,4,6-trimethylphenyl)ethyliminomethyl]phenol is Cc1cc(C)c(CC(/N=C/c2ccccc2O)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of 2-[1,2-bis(2,4,6-trimethylphenyl)ethyliminomethyl]phenol?
The InChIKey is QRSDIBGWDGFAMT-LQKURTRISA-N. The full InChI is InChI=1S/C27H31NO/c1-17-11-19(3)24(20(4)12-17)15-25(27-21(5)13-18(2)14-22(27)6)28-16-23-9-7-8-10-26(23)29/h7-14,16,25,29H,15H2,1-6H3/b28-16+.
What are the key properties of 2-[1,2-bis(2,4,6-trimethylphenyl)ethyliminomethyl]phenol?
2-[1,2-bis(2,4,6-trimethylphenyl)ethyliminomethyl]phenol has a molecular weight of 385.55 g/mol, XLogP of 6.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,2-bis(2,4,6-trimethylphenyl)ethyliminomethyl]phenol is sourced from PubChem (CID 142139974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).