2-[(E)-methoxyiminomethyl]-4-propan-2-ylphenol

C11H15NO2 — CID 137302638

IUPAC2-[(E)-methoxyiminomethyl]-4-propan-2-ylphenol
SMILESCO/N=C/c1cc(C(C)C)ccc1O
InChIInChI=1S/C11H15NO2/c1-8(2)9-4-5-11(13)10(6-9)7-12-14-3/h4-8,13H,1-3H3/b12-7+
InChIKeyXFOIYVXGCCXQIX-KPKJPENVSA-N
MW193.25 g/mol
LogP2.50
Rot. Bonds3

About 2-[(E)-methoxyiminomethyl]-4-propan-2-ylphenol

2-[(E)-methoxyiminomethyl]-4-propan-2-ylphenol (PubChem CID 137302638) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-[(E)-methoxyiminomethyl]-4-propan-2-ylphenol.

Molecular Properties

Compound Name2-[(E)-methoxyiminomethyl]-4-propan-2-ylphenol
PubChem CID137302638
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-[(E)-methoxyiminomethyl]-4-propan-2-ylphenol
SMILESCO/N=C/c1cc(C(C)C)ccc1O
InChIInChI=1S/C11H15NO2/c1-8(2)9-4-5-11(13)10(6-9)7-12-14-3/h4-8,13H,1-3H3/b12-7+
InChIKeyXFOIYVXGCCXQIX-KPKJPENVSA-N
XLogP2.50
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-methoxyiminomethyl]-4-methylphenol
CID 137270598
2-[[3-[(2-hydroxy-5-propan-2-ylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-propan-2-ylphenol
CID 137071368
2-[3-[2-[3-[(2-hydroxy-5-propan-2-ylphenyl)methylideneamino]propylamino]ethylamino]propyliminomethyl]-4-propan-2-ylphenol
CID 135587662
4-fluoro-5-[(E)-methoxyiminomethyl]benzene-1,2-diol
CID 136661646
2-[bis(2-hydroxy-5-propan-2-ylphenyl)methyl]-4-propan-2-ylphenol
CID 178165672
2,4-di(propan-2-yl)phenol
CID 18048
benzyl N'-[(2-hydroxy-5-propan-2-ylphenyl)methylideneamino]carbamimidothioate
CID 168611833
4-phenyldiazenyl-2-[(4-propan-2-ylphenyl)iminomethyl]phenol
CID 137158226
1-(2-methyl-5-propan-2-ylphenyl)-N-prop-1-en-2-ylmethanimine
CID 129213458
3-hydroxy-2-methoxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one
CID 2755140
4-butan-2-yl-2-[[2-[(5-butan-2-yl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 137028699
4-nitro-2-[(4-propan-2-ylphenyl)iminomethyl]phenol
CID 135595250

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-methoxyiminomethyl]-4-propan-2-ylphenol?
The IUPAC name of 2-[(E)-methoxyiminomethyl]-4-propan-2-ylphenol (CID 137302638) is 2-[(E)-methoxyiminomethyl]-4-propan-2-ylphenol.
What is the SMILES notation for 2-[(E)-methoxyiminomethyl]-4-propan-2-ylphenol?
The canonical SMILES for 2-[(E)-methoxyiminomethyl]-4-propan-2-ylphenol is CO/N=C/c1cc(C(C)C)ccc1O.
What is the InChIKey of 2-[(E)-methoxyiminomethyl]-4-propan-2-ylphenol?
The InChIKey is XFOIYVXGCCXQIX-KPKJPENVSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8(2)9-4-5-11(13)10(6-9)7-12-14-3/h4-8,13H,1-3H3/b12-7+.
What are the key properties of 2-[(E)-methoxyiminomethyl]-4-propan-2-ylphenol?
2-[(E)-methoxyiminomethyl]-4-propan-2-ylphenol has a molecular weight of 193.25 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-methoxyiminomethyl]-4-propan-2-ylphenol is sourced from PubChem (CID 137302638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).