(1E,2S)-1-methoxyimino-1-(2-methylphenyl)heptan-2-ol

C15H23NO2 — CID 134275721

IUPAC(1E,2S)-1-methoxyimino-1-(2-methylphenyl)heptan-2-ol
SMILESCCCCC[C@H](O)/C(=N/OC)c1ccccc1C
InChIInChI=1S/C15H23NO2/c1-4-5-6-11-14(17)15(16-18-3)13-10-8-7-9-12(13)2/h7-10,14,17H,4-6,11H2,1-3H3/b16-15+/t14-/m0/s1
InChIKeyIXQXEPIDEFHMBO-BSZDNMLHSA-N
MW249.35 g/mol
LogP3.29
Rot. Bonds7

About (1E,2S)-1-methoxyimino-1-(2-methylphenyl)heptan-2-ol

(1E,2S)-1-methoxyimino-1-(2-methylphenyl)heptan-2-ol (PubChem CID 134275721) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (1E,2S)-1-methoxyimino-1-(2-methylphenyl)heptan-2-ol.

Molecular Properties

Compound Name(1E,2S)-1-methoxyimino-1-(2-methylphenyl)heptan-2-ol
PubChem CID134275721
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(1E,2S)-1-methoxyimino-1-(2-methylphenyl)heptan-2-ol
SMILESCCCCC[C@H](O)/C(=N/OC)c1ccccc1C
InChIInChI=1S/C15H23NO2/c1-4-5-6-11-14(17)15(16-18-3)13-10-8-7-9-12(13)2/h7-10,14,17H,4-6,11H2,1-3H3/b16-15+/t14-/m0/s1
InChIKeyIXQXEPIDEFHMBO-BSZDNMLHSA-N
XLogP3.29
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-heptadecan-9-yl-2-methylbenzamide
CID 3929540
1-(3-decoxybut-2-en-2-yl)-2-methylbenzene
CID 150754471
tetradecan-5-yl 2-methylbenzoate
CID 531583
N-methoxy-1-(2-methylphenyl)pent-4-en-1-imine
CID 163212329
2-decyl-1-(2-methylphenyl)butane-1,3-dione
CID 69380957
(E)-1-(2-butylphenyl)-N-methoxyethanimine
CID 164678029
tetrakis(hexane);tris(1,2-xylene)
CID 173431292
N-methoxy-1-phenylhexan-1-imine
CID 141496906
butan-2-one;2-methylheptane;1-methyl-2-(3-methylbut-2-en-2-yl)benzene
CID 143336788
1-methyl-2-(2-methylhept-2-en-3-yl)benzene
CID 142356923
(E,E)-N-[(3S)-3-methylhept-1-en-2-yl]oxy-3-(2-methylphenyl)pent-3-en-2-imine
CID 145056542
tris(2-methylphenyl)-pentylphosphanium iodide
CID 172804763

Frequently Asked Questions

What is the IUPAC name of (1E,2S)-1-methoxyimino-1-(2-methylphenyl)heptan-2-ol?
The IUPAC name of (1E,2S)-1-methoxyimino-1-(2-methylphenyl)heptan-2-ol (CID 134275721) is (1E,2S)-1-methoxyimino-1-(2-methylphenyl)heptan-2-ol.
What is the SMILES notation for (1E,2S)-1-methoxyimino-1-(2-methylphenyl)heptan-2-ol?
The canonical SMILES for (1E,2S)-1-methoxyimino-1-(2-methylphenyl)heptan-2-ol is CCCCC[C@H](O)/C(=N/OC)c1ccccc1C.
What is the InChIKey of (1E,2S)-1-methoxyimino-1-(2-methylphenyl)heptan-2-ol?
The InChIKey is IXQXEPIDEFHMBO-BSZDNMLHSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-5-6-11-14(17)15(16-18-3)13-10-8-7-9-12(13)2/h7-10,14,17H,4-6,11H2,1-3H3/b16-15+/t14-/m0/s1.
What are the key properties of (1E,2S)-1-methoxyimino-1-(2-methylphenyl)heptan-2-ol?
(1E,2S)-1-methoxyimino-1-(2-methylphenyl)heptan-2-ol has a molecular weight of 249.35 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,2S)-1-methoxyimino-1-(2-methylphenyl)heptan-2-ol is sourced from PubChem (CID 134275721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).