5-decoxy-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol

C18H29NO3 — CID 135409333

IUPAC5-decoxy-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
SMILESCCCCCCCCCCOc1ccc(/C(C)=N/O)c(O)c1
InChIInChI=1S/C18H29NO3/c1-3-4-5-6-7-8-9-10-13-22-16-11-12-17(15(2)19-21)18(20)14-16/h11-12,14,20-21H,3-10,13H2,1-2H3/b19-15+
InChIKeyOHIORSVUWCEHNT-XDJHFCHBSA-N
MW307.43 g/mol
LogP5.11
Rot. Bonds11

About 5-decoxy-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol

5-decoxy-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol (PubChem CID 135409333) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is 5-decoxy-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name5-decoxy-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
PubChem CID135409333
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name5-decoxy-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
SMILESCCCCCCCCCCOc1ccc(/C(C)=N/O)c(O)c1
InChIInChI=1S/C18H29NO3/c1-3-4-5-6-7-8-9-10-13-22-16-11-12-17(15(2)19-21)18(20)14-16/h11-12,14,20-21H,3-10,13H2,1-2H3/b19-15+
InChIKeyOHIORSVUWCEHNT-XDJHFCHBSA-N
XLogP5.11
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.43
LogP ≤ 55.11
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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Frequently Asked Questions

What is the IUPAC name of 5-decoxy-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
The IUPAC name of 5-decoxy-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol (CID 135409333) is 5-decoxy-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 5-decoxy-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 5-decoxy-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol is CCCCCCCCCCOc1ccc(/C(C)=N/O)c(O)c1.
What is the InChIKey of 5-decoxy-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
The InChIKey is OHIORSVUWCEHNT-XDJHFCHBSA-N. The full InChI is InChI=1S/C18H29NO3/c1-3-4-5-6-7-8-9-10-13-22-16-11-12-17(15(2)19-21)18(20)14-16/h11-12,14,20-21H,3-10,13H2,1-2H3/b19-15+.
What are the key properties of 5-decoxy-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
5-decoxy-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol has a molecular weight of 307.43 g/mol, XLogP of 5.11, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-decoxy-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 135409333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).