(2Z)-3-methyl-2-phenylmethoxyiminohexan-3-ol

C14H21NO2 — CID 6510141

IUPAC(2Z)-3-methyl-2-phenylmethoxyiminohexan-3-ol
SMILESCCCC(C)(O)/C(C)=N\OCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-4-10-14(3,16)12(2)15-17-11-13-8-6-5-7-9-13/h5-9,16H,4,10-11H2,1-3H3/b15-12-
InChIKeyOXQCNRJLQDZZPM-QINSGFPZSA-N
MW235.33 g/mol
LogP3.13
Rot. Bonds6

About (2Z)-3-methyl-2-phenylmethoxyiminohexan-3-ol

(2Z)-3-methyl-2-phenylmethoxyiminohexan-3-ol (PubChem CID 6510141) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (2Z)-3-methyl-2-phenylmethoxyiminohexan-3-ol.

Molecular Properties

Compound Name(2Z)-3-methyl-2-phenylmethoxyiminohexan-3-ol
PubChem CID6510141
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(2Z)-3-methyl-2-phenylmethoxyiminohexan-3-ol
SMILESCCCC(C)(O)/C(C)=N\OCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-4-10-14(3,16)12(2)15-17-11-13-8-6-5-7-9-13/h5-9,16H,4,10-11H2,1-3H3/b15-12-
InChIKeyOXQCNRJLQDZZPM-QINSGFPZSA-N
XLogP3.13
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.13
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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Frequently Asked Questions

What is the IUPAC name of (2Z)-3-methyl-2-phenylmethoxyiminohexan-3-ol?
The IUPAC name of (2Z)-3-methyl-2-phenylmethoxyiminohexan-3-ol (CID 6510141) is (2Z)-3-methyl-2-phenylmethoxyiminohexan-3-ol.
What is the SMILES notation for (2Z)-3-methyl-2-phenylmethoxyiminohexan-3-ol?
The canonical SMILES for (2Z)-3-methyl-2-phenylmethoxyiminohexan-3-ol is CCCC(C)(O)/C(C)=N\OCc1ccccc1.
What is the InChIKey of (2Z)-3-methyl-2-phenylmethoxyiminohexan-3-ol?
The InChIKey is OXQCNRJLQDZZPM-QINSGFPZSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-10-14(3,16)12(2)15-17-11-13-8-6-5-7-9-13/h5-9,16H,4,10-11H2,1-3H3/b15-12-.
What are the key properties of (2Z)-3-methyl-2-phenylmethoxyiminohexan-3-ol?
(2Z)-3-methyl-2-phenylmethoxyiminohexan-3-ol has a molecular weight of 235.33 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-methyl-2-phenylmethoxyiminohexan-3-ol is sourced from PubChem (CID 6510141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).