4-hexyl-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol

C14H21NO2 — CID 135698782

IUPAC4-hexyl-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
SMILESCCCCCCc1ccc(O)c(/C(C)=N/O)c1
InChIInChI=1S/C14H21NO2/c1-3-4-5-6-7-12-8-9-14(16)13(10-12)11(2)15-17/h8-10,16-17H,3-7H2,1-2H3/b15-11+
InChIKeyQMAIVOJOLNKKFS-RVDMUPIBSA-N
MW235.33 g/mol
LogP3.71
Rot. Bonds6

About 4-hexyl-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol

4-hexyl-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol (PubChem CID 135698782) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-hexyl-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name4-hexyl-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
PubChem CID135698782
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-hexyl-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
SMILESCCCCCCc1ccc(O)c(/C(C)=N/O)c1
InChIInChI=1S/C14H21NO2/c1-3-4-5-6-7-12-8-9-14(16)13(10-12)11(2)15-17/h8-10,16-17H,3-7H2,1-2H3/b15-11+
InChIKeyQMAIVOJOLNKKFS-RVDMUPIBSA-N
XLogP3.71
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.71
H-Bond Donors ≤ 52
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-butyl-2-(N-hydroxy-C-methylcarbonimidoyl)phenol
CID 154396008
1-(2-hydroxy-5-nonylphenyl)ethanone
CID 10869095
[4-hydroxy-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]methyl-methyl-dioctylazanium
CID 135475375
methyl 5-dodecyl-2-hydroxybenzoate
CID 11834197
4-[(dipropylamino)methyl]-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 177487240
methyl 5-hexyl-2-hydroxybenzoate
CID 13329493
2-hydroxy-5-[(Z)-octadec-9-enyl]benzoic acid
CID 67602117
4-nonyl-2-pentylphenol
CID 86162849
2-methyl-4-octadecylphenol
CID 3022311
(2-chlorophenyl)-(5-dodecyl-2-hydroxyphenyl)methanone
CID 71393448
4-dodecyl-2-[(E)-hydroxyiminomethyl]phenol
CID 135441937
2-[(2-hydroxy-5-pentylphenyl)diazenyl]-4-pentylphenol
CID 177435074

Frequently Asked Questions

What is the IUPAC name of 4-hexyl-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
The IUPAC name of 4-hexyl-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol (CID 135698782) is 4-hexyl-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 4-hexyl-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 4-hexyl-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol is CCCCCCc1ccc(O)c(/C(C)=N/O)c1.
What is the InChIKey of 4-hexyl-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
The InChIKey is QMAIVOJOLNKKFS-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-4-5-6-7-12-8-9-14(16)13(10-12)11(2)15-17/h8-10,16-17H,3-7H2,1-2H3/b15-11+.
What are the key properties of 4-hexyl-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
4-hexyl-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol has a molecular weight of 235.33 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 135698782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).