4-[(4-methoxyphenyl)methoxyimino]pentan-2-ol

C13H19NO3 — CID 123560154

IUPAC4-[(4-methoxyphenyl)methoxyimino]pentan-2-ol
SMILESCOc1ccc(CON=C(C)CC(C)O)cc1
InChIInChI=1S/C13H19NO3/c1-10(8-11(2)15)14-17-9-12-4-6-13(16-3)7-5-12/h4-7,11,15H,8-9H2,1-3H3
InChIKeyPPILRADOVAPRJP-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.36
Rot. Bonds6

About 4-[(4-methoxyphenyl)methoxyimino]pentan-2-ol

4-[(4-methoxyphenyl)methoxyimino]pentan-2-ol (PubChem CID 123560154) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methoxyimino]pentan-2-ol.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methoxyimino]pentan-2-ol
PubChem CID123560154
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name4-[(4-methoxyphenyl)methoxyimino]pentan-2-ol
SMILESCOc1ccc(CON=C(C)CC(C)O)cc1
InChIInChI=1S/C13H19NO3/c1-10(8-11(2)15)14-17-9-12-4-6-13(16-3)7-5-12/h4-7,11,15H,8-9H2,1-3H3
InChIKeyPPILRADOVAPRJP-UHFFFAOYSA-N
XLogP2.36
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(4-methoxyphenyl)methoxy]guanidine
CID 3601250
(5E)-2-methyl-5-phenylmethoxyiminohexan-3-ol
CID 11172393
N'-[[4-(hydroxymethyl)phenyl]methoxy]-2-(4-methoxyphenyl)ethanimidamide
CID 110005966
(2S)-2-[(4-methoxyphenyl)methoxy]propan-1-ol
CID 14373639
N'-hydroxy-3-[(4-methoxyphenyl)methoxy]butanimidamide
CID 114996616
(E)-N-[(4-butan-2-ylphenyl)methoxy]butan-2-imine
CID 170685714
methyl (3R)-3-[(4-methoxyphenyl)methoxy]butanoate
CID 10799944
(2R,5S)-5-[(4-methoxyphenyl)methoxy]hexane-1,2-diol
CID 24938597
1-(2,4-dimethylpent-4-enoxymethyl)-4-methoxybenzene
CID 78130053
1-[2-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 43504002
(1S)-1-[2-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 78931365
tetrakis[(4-methoxyphenyl)methoxy]boranuide
CID 101479355

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methoxyimino]pentan-2-ol?
The IUPAC name of 4-[(4-methoxyphenyl)methoxyimino]pentan-2-ol (CID 123560154) is 4-[(4-methoxyphenyl)methoxyimino]pentan-2-ol.
What is the SMILES notation for 4-[(4-methoxyphenyl)methoxyimino]pentan-2-ol?
The canonical SMILES for 4-[(4-methoxyphenyl)methoxyimino]pentan-2-ol is COc1ccc(CON=C(C)CC(C)O)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methoxyimino]pentan-2-ol?
The InChIKey is PPILRADOVAPRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10(8-11(2)15)14-17-9-12-4-6-13(16-3)7-5-12/h4-7,11,15H,8-9H2,1-3H3.
What are the key properties of 4-[(4-methoxyphenyl)methoxyimino]pentan-2-ol?
4-[(4-methoxyphenyl)methoxyimino]pentan-2-ol has a molecular weight of 237.30 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methoxyimino]pentan-2-ol is sourced from PubChem (CID 123560154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).