4-dodecyl-2-[(E)-hydroxyiminomethyl]phenol

C19H31NO2 — CID 135441937

IUPAC4-dodecyl-2-[(E)-hydroxyiminomethyl]phenol
SMILESCCCCCCCCCCCCc1ccc(O)c(/C=N/O)c1
InChIInChI=1S/C19H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-14-19(21)18(15-17)16-20-22/h13-16,21-22H,2-12H2,1H3/b20-16+
InChIKeyUWGTVLYQSJNUFP-CAPFRKAQSA-N
MW305.46 g/mol
LogP5.66
Rot. Bonds12

About 4-dodecyl-2-[(E)-hydroxyiminomethyl]phenol

4-dodecyl-2-[(E)-hydroxyiminomethyl]phenol (PubChem CID 135441937) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 4-dodecyl-2-[(E)-hydroxyiminomethyl]phenol.

Molecular Properties

Compound Name4-dodecyl-2-[(E)-hydroxyiminomethyl]phenol
PubChem CID135441937
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name4-dodecyl-2-[(E)-hydroxyiminomethyl]phenol
SMILESCCCCCCCCCCCCc1ccc(O)c(/C=N/O)c1
InChIInChI=1S/C19H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-14-19(21)18(15-17)16-20-22/h13-16,21-22H,2-12H2,1H3/b20-16+
InChIKeyUWGTVLYQSJNUFP-CAPFRKAQSA-N
XLogP5.66
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.46
LogP ≤ 55.66
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

2-[2-[(2-hydroxy-5-icosylphenyl)methylideneamino]ethyliminomethyl]-4-icosylphenol
CID 136835691
4-decyl-2-[[(1S)-2-[(5-dodecyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
CID 140600939
2-[[(1S,2R)-2-[(5-dodecyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-octylphenol
CID 140600781
2-[(5-dodecyl-2-hydroxyphenyl)methylideneamino]ethanesulfonic acid
CID 136835607
magnesium;hydride;2-hydroxy-5-nonylbenzaldehyde
CID 174742388
bis(2-[(Z)-hydroxyiminomethyl]-6-methyl-4-nonylphenol);methane
CID 172929210
4-[(4-hexylphenyl)diazenyl]-2-[2-[[5-[(4-hexylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]ethyliminomethyl]phenol
CID 136883501
4-[[4-hydroxy-3-[(Z)-hydroxyiminomethyl]phenyl]methyl]-2-[(Z)-hydroxyiminomethyl]phenol
CID 136864512
4-nonyl-2-pentylphenol
CID 86162849
2-methyl-4-octadecylphenol
CID 3022311
4-hexyl-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 135698782
2-ethyl-4-heptylphenol
CID 58289223

Frequently Asked Questions

What is the IUPAC name of 4-dodecyl-2-[(E)-hydroxyiminomethyl]phenol?
The IUPAC name of 4-dodecyl-2-[(E)-hydroxyiminomethyl]phenol (CID 135441937) is 4-dodecyl-2-[(E)-hydroxyiminomethyl]phenol.
What is the SMILES notation for 4-dodecyl-2-[(E)-hydroxyiminomethyl]phenol?
The canonical SMILES for 4-dodecyl-2-[(E)-hydroxyiminomethyl]phenol is CCCCCCCCCCCCc1ccc(O)c(/C=N/O)c1.
What is the InChIKey of 4-dodecyl-2-[(E)-hydroxyiminomethyl]phenol?
The InChIKey is UWGTVLYQSJNUFP-CAPFRKAQSA-N. The full InChI is InChI=1S/C19H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-14-19(21)18(15-17)16-20-22/h13-16,21-22H,2-12H2,1H3/b20-16+.
What are the key properties of 4-dodecyl-2-[(E)-hydroxyiminomethyl]phenol?
4-dodecyl-2-[(E)-hydroxyiminomethyl]phenol has a molecular weight of 305.46 g/mol, XLogP of 5.66, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dodecyl-2-[(E)-hydroxyiminomethyl]phenol is sourced from PubChem (CID 135441937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).