(3E)-1-cyclohexyl-3-phenylmethoxyiminobutan-1-ol

C17H25NO2 — CID 11231189

IUPAC(3E)-1-cyclohexyl-3-phenylmethoxyiminobutan-1-ol
SMILESC/C(CC(O)C1CCCCC1)=N\OCc1ccccc1
InChIInChI=1S/C17H25NO2/c1-14(12-17(19)16-10-6-3-7-11-16)18-20-13-15-8-4-2-5-9-15/h2,4-5,8-9,16-17,19H,3,6-7,10-13H2,1H3/b18-14+
InChIKeyJRLSWOGVWYTLPV-NBVRZTHBSA-N
MW275.39 g/mol
LogP3.91
Rot. Bonds6

About (3E)-1-cyclohexyl-3-phenylmethoxyiminobutan-1-ol

(3E)-1-cyclohexyl-3-phenylmethoxyiminobutan-1-ol (PubChem CID 11231189) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (3E)-1-cyclohexyl-3-phenylmethoxyiminobutan-1-ol.

Molecular Properties

Compound Name(3E)-1-cyclohexyl-3-phenylmethoxyiminobutan-1-ol
PubChem CID11231189
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(3E)-1-cyclohexyl-3-phenylmethoxyiminobutan-1-ol
SMILESC/C(CC(O)C1CCCCC1)=N\OCc1ccccc1
InChIInChI=1S/C17H25NO2/c1-14(12-17(19)16-10-6-3-7-11-16)18-20-13-15-8-4-2-5-9-15/h2,4-5,8-9,16-17,19H,3,6-7,10-13H2,1H3/b18-14+
InChIKeyJRLSWOGVWYTLPV-NBVRZTHBSA-N
XLogP3.91
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.91
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

(5E)-2-methyl-5-phenylmethoxyiminohexan-3-ol
CID 11172393
cyclohexyl(phenylmethoxy)methanol
CID 54334195
(E)-1-cyclopropyl-N-phenylmethoxyethanimine
CID 163358834
(1R)-1-cyclopentyl-2-phenylethanol
CID 39238299
cyclohexylsulfanyl(phenylmethoxy)diazene
CID 175112079
(E)-3-methyl-N-phenylmethoxybutan-2-imine
CID 89386199
(1R)-1-cyclopentyl-3-phenylpropan-1-ol
CID 15361902
benzyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate
CID 131198455
1-phenyl-1-N,3-N-bis(phenylmethoxy)butane-1,3-diimine
CID 87328837
2-(benzylamino)-1-cyclohexylethanol
CID 14342015
(1R,5R)-1-cyclohexyl-7-phenylheptane-1,5-diol
CID 46914940
(1R,2S)-1-cyclohexyl-2-(diethylamino)-3-phenylmethoxypropan-1-ol
CID 10381299

Frequently Asked Questions

What is the IUPAC name of (3E)-1-cyclohexyl-3-phenylmethoxyiminobutan-1-ol?
The IUPAC name of (3E)-1-cyclohexyl-3-phenylmethoxyiminobutan-1-ol (CID 11231189) is (3E)-1-cyclohexyl-3-phenylmethoxyiminobutan-1-ol.
What is the SMILES notation for (3E)-1-cyclohexyl-3-phenylmethoxyiminobutan-1-ol?
The canonical SMILES for (3E)-1-cyclohexyl-3-phenylmethoxyiminobutan-1-ol is C/C(CC(O)C1CCCCC1)=N\OCc1ccccc1.
What is the InChIKey of (3E)-1-cyclohexyl-3-phenylmethoxyiminobutan-1-ol?
The InChIKey is JRLSWOGVWYTLPV-NBVRZTHBSA-N. The full InChI is InChI=1S/C17H25NO2/c1-14(12-17(19)16-10-6-3-7-11-16)18-20-13-15-8-4-2-5-9-15/h2,4-5,8-9,16-17,19H,3,6-7,10-13H2,1H3/b18-14+.
What are the key properties of (3E)-1-cyclohexyl-3-phenylmethoxyiminobutan-1-ol?
(3E)-1-cyclohexyl-3-phenylmethoxyiminobutan-1-ol has a molecular weight of 275.39 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-cyclohexyl-3-phenylmethoxyiminobutan-1-ol is sourced from PubChem (CID 11231189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).