4-[(E)-N-hydroxy-C-undecylcarbonimidoyl]phenol

C18H29NO2 — CID 135822572

IUPAC4-[(E)-N-hydroxy-C-undecylcarbonimidoyl]phenol
SMILESCCCCCCCCCCC/C(=N\O)c1ccc(O)cc1
InChIInChI=1S/C18H29NO2/c1-2-3-4-5-6-7-8-9-10-11-18(19-21)16-12-14-17(20)15-13-16/h12-15,20-21H,2-11H2,1H3/b19-18+
InChIKeyAYBPVDWWYIDNOH-VHEBQXMUSA-N
MW291.43 g/mol
LogP5.49
Rot. Bonds11

About 4-[(E)-N-hydroxy-C-undecylcarbonimidoyl]phenol

4-[(E)-N-hydroxy-C-undecylcarbonimidoyl]phenol (PubChem CID 135822572) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is 4-[(E)-N-hydroxy-C-undecylcarbonimidoyl]phenol.

Molecular Properties

Compound Name4-[(E)-N-hydroxy-C-undecylcarbonimidoyl]phenol
PubChem CID135822572
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC Name4-[(E)-N-hydroxy-C-undecylcarbonimidoyl]phenol
SMILESCCCCCCCCCCC/C(=N\O)c1ccc(O)cc1
InChIInChI=1S/C18H29NO2/c1-2-3-4-5-6-7-8-9-10-11-18(19-21)16-12-14-17(20)15-13-16/h12-15,20-21H,2-11H2,1H3/b19-18+
InChIKeyAYBPVDWWYIDNOH-VHEBQXMUSA-N
XLogP5.49
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.43
LogP ≤ 55.49
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

4-[(Z)-N-hydroxy-C-undecylcarbonimidoyl]phenol
CID 136661885
(NE)-N-(1-phenyldodecylidene)hydroxylamine
CID 6013511
(NZ)-N-(1-phenyloctylidene)hydroxylamine
CID 5372164
(NE)-N-(1-phenyltetradecylidene)hydroxylamine
CID 6283340
N-[1-(1-methylpyridin-1-ium-4-yl)tridecylidene]hydroxylamine
CID 136913036
(NE)-N-[(10E)-1,10-bis(4-hexoxyphenyl)-10-hydroxyiminodecylidene]hydroxylamine
CID 5362368
N-[1,5-bis(4-heptoxyphenyl)-5-hydroxyiminopentylidene]hydroxylamine
CID 3094830
4-[(E)-N-hydroxy-C-octylcarbonimidoyl]benzene-1,3-diol
CID 135679169
4-(N-hydroxy-C-nonylcarbonimidoyl)benzene-1,3-diol
CID 4643220
4-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]phenol
CID 135629232
1-(4-hydroxyphenyl)nonan-1-one
CID 170171737
2-amino-2-[2-[4-[(Z)-C-heptyl-N-hydroxycarbonimidoyl]phenyl]ethyl]propane-1,3-diol
CID 101073661

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-N-hydroxy-C-undecylcarbonimidoyl]phenol?
The IUPAC name of 4-[(E)-N-hydroxy-C-undecylcarbonimidoyl]phenol (CID 135822572) is 4-[(E)-N-hydroxy-C-undecylcarbonimidoyl]phenol.
What is the SMILES notation for 4-[(E)-N-hydroxy-C-undecylcarbonimidoyl]phenol?
The canonical SMILES for 4-[(E)-N-hydroxy-C-undecylcarbonimidoyl]phenol is CCCCCCCCCCC/C(=N\O)c1ccc(O)cc1.
What is the InChIKey of 4-[(E)-N-hydroxy-C-undecylcarbonimidoyl]phenol?
The InChIKey is AYBPVDWWYIDNOH-VHEBQXMUSA-N. The full InChI is InChI=1S/C18H29NO2/c1-2-3-4-5-6-7-8-9-10-11-18(19-21)16-12-14-17(20)15-13-16/h12-15,20-21H,2-11H2,1H3/b19-18+.
What are the key properties of 4-[(E)-N-hydroxy-C-undecylcarbonimidoyl]phenol?
4-[(E)-N-hydroxy-C-undecylcarbonimidoyl]phenol has a molecular weight of 291.43 g/mol, XLogP of 5.49, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-N-hydroxy-C-undecylcarbonimidoyl]phenol is sourced from PubChem (CID 135822572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).