5-butoxy-2-(N-hydroxy-C-tridecylcarbonimidoyl)phenol

C24H41NO3 — CID 4282509

IUPAC5-butoxy-2-(N-hydroxy-C-tridecylcarbonimidoyl)phenol
SMILESCCCCCCCCCCCCCC(=NO)c1ccc(OCCCC)cc1O
InChIInChI=1S/C24H41NO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-23(25-27)22-18-17-21(20-24(22)26)28-19-6-4-2/h17-18,20,26-27H,3-16,19H2,1-2H3
InChIKeyODGKWBAHAXRRNP-UHFFFAOYSA-N
MW391.60 g/mol
LogP7.45
Rot. Bonds17

About 5-butoxy-2-(N-hydroxy-C-tridecylcarbonimidoyl)phenol

5-butoxy-2-(N-hydroxy-C-tridecylcarbonimidoyl)phenol (PubChem CID 4282509) has the molecular formula C24H41NO3 and a molecular weight of 391.60 g/mol. Its IUPAC name is 5-butoxy-2-(N-hydroxy-C-tridecylcarbonimidoyl)phenol.

Molecular Properties

Compound Name5-butoxy-2-(N-hydroxy-C-tridecylcarbonimidoyl)phenol
PubChem CID4282509
Molecular FormulaC24H41NO3
Molecular Weight391.60 g/mol
Exact Mass391.31
IUPAC Name5-butoxy-2-(N-hydroxy-C-tridecylcarbonimidoyl)phenol
SMILESCCCCCCCCCCCCCC(=NO)c1ccc(OCCCC)cc1O
InChIInChI=1S/C24H41NO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-23(25-27)22-18-17-21(20-24(22)26)28-19-6-4-2/h17-18,20,26-27H,3-16,19H2,1-2H3
InChIKeyODGKWBAHAXRRNP-UHFFFAOYSA-N
XLogP7.45
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.60
LogP ≤ 57.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-butoxy-2-[(Z)-N-hydroxy-C-undecylcarbonimidoyl]phenol
CID 135699539
4-butoxy-2-[(E)-N-hydroxy-C-undecylcarbonimidoyl]phenol
CID 135615488
5-butoxy-2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenol
CID 137035171
4-[(E)-N-hydroxy-C-octylcarbonimidoyl]benzene-1,3-diol
CID 135679169
4-(N-hydroxy-C-nonylcarbonimidoyl)benzene-1,3-diol
CID 4643220
2-[(E)-C-benzyl-N-hydroxycarbonimidoyl]-5-hexoxyphenol
CID 135699007
2-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-5-decoxyphenol
CID 135717091
4-ethoxy-2-(N-hydroxy-C-tridecylcarbonimidoyl)phenol
CID 5139795
N-[1-(3-butoxyphenyl)tetradecylidene]hydroxylamine
CID 71832094
4-ethoxy-2-[(E)-C-[(8E)-8-(5-ethoxy-2-hydroxyphenyl)-8-hydroxyiminooctyl]-N-hydroxycarbonimidoyl]phenol
CID 135589308
4-ethoxy-2-[C-[9-(5-ethoxy-2-hydroxyphenyl)-9-hydroxyiminononyl]-N-hydroxycarbonimidoyl]phenol
CID 4144645
4-[C-[9-(2,4-dihydroxyphenyl)-9-hydroxyiminononyl]-N-hydroxycarbonimidoyl]benzene-1,3-diol
CID 5201949

Frequently Asked Questions

What is the IUPAC name of 5-butoxy-2-(N-hydroxy-C-tridecylcarbonimidoyl)phenol?
The IUPAC name of 5-butoxy-2-(N-hydroxy-C-tridecylcarbonimidoyl)phenol (CID 4282509) is 5-butoxy-2-(N-hydroxy-C-tridecylcarbonimidoyl)phenol.
What is the SMILES notation for 5-butoxy-2-(N-hydroxy-C-tridecylcarbonimidoyl)phenol?
The canonical SMILES for 5-butoxy-2-(N-hydroxy-C-tridecylcarbonimidoyl)phenol is CCCCCCCCCCCCCC(=NO)c1ccc(OCCCC)cc1O.
What is the InChIKey of 5-butoxy-2-(N-hydroxy-C-tridecylcarbonimidoyl)phenol?
The InChIKey is ODGKWBAHAXRRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41NO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-23(25-27)22-18-17-21(20-24(22)26)28-19-6-4-2/h17-18,20,26-27H,3-16,19H2,1-2H3.
What are the key properties of 5-butoxy-2-(N-hydroxy-C-tridecylcarbonimidoyl)phenol?
5-butoxy-2-(N-hydroxy-C-tridecylcarbonimidoyl)phenol has a molecular weight of 391.60 g/mol, XLogP of 7.45, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-2-(N-hydroxy-C-tridecylcarbonimidoyl)phenol is sourced from PubChem (CID 4282509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).