[4-[(4-hydroxyiminocyclohexyl)oxymethyl]phenyl]methanol

C14H19NO3 — CID 113414258

IUPAC[4-[(4-hydroxyiminocyclohexyl)oxymethyl]phenyl]methanol
SMILESOCc1ccc(COC2CCC(=NO)CC2)cc1
InChIInChI=1S/C14H19NO3/c16-9-11-1-3-12(4-2-11)10-18-14-7-5-13(15-17)6-8-14/h1-4,14,16-17H,5-10H2/b15-13-
InChIKeyRHUYWYUHGHOBGB-SQFISAMPSA-N
MW249.31 g/mol
LogP2.47
Rot. Bonds4

About [4-[(4-hydroxyiminocyclohexyl)oxymethyl]phenyl]methanol

[4-[(4-hydroxyiminocyclohexyl)oxymethyl]phenyl]methanol (PubChem CID 113414258) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is [4-[(4-hydroxyiminocyclohexyl)oxymethyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(4-hydroxyiminocyclohexyl)oxymethyl]phenyl]methanol
PubChem CID113414258
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name[4-[(4-hydroxyiminocyclohexyl)oxymethyl]phenyl]methanol
SMILESOCc1ccc(COC2CCC(=NO)CC2)cc1
InChIInChI=1S/C14H19NO3/c16-9-11-1-3-12(4-2-11)10-18-14-7-5-13(15-17)6-8-14/h1-4,14,16-17H,5-10H2/b15-13-
InChIKeyRHUYWYUHGHOBGB-SQFISAMPSA-N
XLogP2.47
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(3-methylphenyl)methoxy]cyclohexylidene]hydroxylamine
CID 113414232
[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methanol
CID 126675322
N-[4-[(4-bromo-2-chlorophenyl)methoxy]cyclohexylidene]hydroxylamine
CID 113471027
N-[4-[(4-fluoro-2-methylphenyl)methoxy]cyclohexylidene]hydroxylamine
CID 114346124
4-[(4-fluorophenyl)methoxy]cyclohexan-1-one
CID 58923671
[4-[(2-aminocyclopentyl)oxymethyl]phenyl]methanol
CID 106938944
4-[(4-chlorophenyl)methoxy]piperidine
CID 13194424
1-(cyclobutyloxymethyl)-4-iodobenzene
CID 65490740
N'-hydroxy-4-(oxan-4-yloxymethyl)benzenecarboximidamide
CID 59504749
[4-[4-[4-(hydroxymethyl)phenoxy]cyclohexyl]oxyphenyl]methanol
CID 118229832
[4-(cycloheptyloxymethyl)phenyl]methanamine
CID 61069356
4-(cyclohexyloxymethyl)benzenethiol
CID 91656879

Frequently Asked Questions

What is the IUPAC name of [4-[(4-hydroxyiminocyclohexyl)oxymethyl]phenyl]methanol?
The IUPAC name of [4-[(4-hydroxyiminocyclohexyl)oxymethyl]phenyl]methanol (CID 113414258) is [4-[(4-hydroxyiminocyclohexyl)oxymethyl]phenyl]methanol.
What is the SMILES notation for [4-[(4-hydroxyiminocyclohexyl)oxymethyl]phenyl]methanol?
The canonical SMILES for [4-[(4-hydroxyiminocyclohexyl)oxymethyl]phenyl]methanol is OCc1ccc(COC2CCC(=NO)CC2)cc1.
What is the InChIKey of [4-[(4-hydroxyiminocyclohexyl)oxymethyl]phenyl]methanol?
The InChIKey is RHUYWYUHGHOBGB-SQFISAMPSA-N. The full InChI is InChI=1S/C14H19NO3/c16-9-11-1-3-12(4-2-11)10-18-14-7-5-13(15-17)6-8-14/h1-4,14,16-17H,5-10H2/b15-13-.
What are the key properties of [4-[(4-hydroxyiminocyclohexyl)oxymethyl]phenyl]methanol?
[4-[(4-hydroxyiminocyclohexyl)oxymethyl]phenyl]methanol has a molecular weight of 249.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-hydroxyiminocyclohexyl)oxymethyl]phenyl]methanol is sourced from PubChem (CID 113414258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).