2-ethyl-6-[(1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]-4-methylphenol

C16H25NO2 — CID 137060299

IUPAC2-ethyl-6-[(1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]-4-methylphenol
SMILESCCc1cc(C)cc(/C=N/C(CO)C(C)(C)C)c1O
InChIInChI=1S/C16H25NO2/c1-6-12-7-11(2)8-13(15(12)19)9-17-14(10-18)16(3,4)5/h7-9,14,18-19H,6,10H2,1-5H3/b17-9+
InChIKeyGAQIRIOGKCETOY-RQZCQDPDSA-N
MW263.38 g/mol
LogP3.09
Rot. Bonds4

About 2-ethyl-6-[(1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]-4-methylphenol

2-ethyl-6-[(1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]-4-methylphenol (PubChem CID 137060299) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-ethyl-6-[(1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]-4-methylphenol.

Molecular Properties

Compound Name2-ethyl-6-[(1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]-4-methylphenol
PubChem CID137060299
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-ethyl-6-[(1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]-4-methylphenol
SMILESCCc1cc(C)cc(/C=N/C(CO)C(C)(C)C)c1O
InChIInChI=1S/C16H25NO2/c1-6-12-7-11(2)8-13(15(12)19)9-17-14(10-18)16(3,4)5/h7-9,14,18-19H,6,10H2,1-5H3/b17-9+
InChIKeyGAQIRIOGKCETOY-RQZCQDPDSA-N
XLogP3.09
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-2-hydroxy-5-methylbenzaldehyde
CID 123167289
cobalt(2+);2-ethyl-6-[[4-[(3-ethyl-2-hydroxy-5-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methylphenol;diacetate
CID 159395271
2,6-bis[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4-methylphenol
CID 136883517
2,3-ditert-butyl-6-[(1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]phenol
CID 141285234
2-tert-butyl-4-methyl-6-(propan-2-yliminomethyl)phenol
CID 135995158
(2S)-2-[[3-[[(1S)-1-carboxyethyl]iminomethyl]-2-hydroxy-5-methylphenyl]methylideneamino]propanoic acid
CID 136861684
2-(1,2-13C2)ethyl-4,6-dimethylphenol
CID 102175536
2-ethyl-6-[1-(3-ethyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol
CID 10040352
3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]iminomethyl]-2-hydroxy-5-methylbenzaldehyde
CID 136669412
2-ethyl-4-methyl-6-propylphenol
CID 66879780
(2R)-2-[[6-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]iminomethyl]-2-pyridinyl]methylideneamino]-3,3-dimethylbutan-1-ol
CID 2818120
2-ethyl-6-[2-ethyl-1-(3-ethyl-2-hydroxy-5-methylphenyl)-4,4-dimethylpentyl]-4-methylphenol
CID 101246549

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[(1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]-4-methylphenol?
The IUPAC name of 2-ethyl-6-[(1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]-4-methylphenol (CID 137060299) is 2-ethyl-6-[(1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]-4-methylphenol.
What is the SMILES notation for 2-ethyl-6-[(1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]-4-methylphenol?
The canonical SMILES for 2-ethyl-6-[(1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]-4-methylphenol is CCc1cc(C)cc(/C=N/C(CO)C(C)(C)C)c1O.
What is the InChIKey of 2-ethyl-6-[(1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]-4-methylphenol?
The InChIKey is GAQIRIOGKCETOY-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H25NO2/c1-6-12-7-11(2)8-13(15(12)19)9-17-14(10-18)16(3,4)5/h7-9,14,18-19H,6,10H2,1-5H3/b17-9+.
What are the key properties of 2-ethyl-6-[(1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]-4-methylphenol?
2-ethyl-6-[(1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]-4-methylphenol has a molecular weight of 263.38 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[(1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]-4-methylphenol is sourced from PubChem (CID 137060299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).