4-[(E)-N-hydroxy-C-octylcarbonimidoyl]benzene-1,3-diol

C15H23NO3 — CID 135679169

IUPAC4-[(E)-N-hydroxy-C-octylcarbonimidoyl]benzene-1,3-diol
SMILESCCCCCCCC/C(=N\O)c1ccc(O)cc1O
InChIInChI=1S/C15H23NO3/c1-2-3-4-5-6-7-8-14(16-19)13-10-9-12(17)11-15(13)18/h9-11,17-19H,2-8H2,1H3/b16-14+
InChIKeyDXRCRSKLDPCICE-JQIJEIRASA-N
MW265.35 g/mol
LogP4.03
Rot. Bonds8

About 4-[(E)-N-hydroxy-C-octylcarbonimidoyl]benzene-1,3-diol

4-[(E)-N-hydroxy-C-octylcarbonimidoyl]benzene-1,3-diol (PubChem CID 135679169) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-[(E)-N-hydroxy-C-octylcarbonimidoyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(E)-N-hydroxy-C-octylcarbonimidoyl]benzene-1,3-diol
PubChem CID135679169
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-[(E)-N-hydroxy-C-octylcarbonimidoyl]benzene-1,3-diol
SMILESCCCCCCCC/C(=N\O)c1ccc(O)cc1O
InChIInChI=1S/C15H23NO3/c1-2-3-4-5-6-7-8-14(16-19)13-10-9-12(17)11-15(13)18/h9-11,17-19H,2-8H2,1H3/b16-14+
InChIKeyDXRCRSKLDPCICE-JQIJEIRASA-N
XLogP4.03
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 54.03
H-Bond Donors ≤ 53
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

4-(N-hydroxy-C-nonylcarbonimidoyl)benzene-1,3-diol
CID 4643220
4-[C-[9-(2,4-dihydroxyphenyl)-9-hydroxyiminononyl]-N-hydroxycarbonimidoyl]benzene-1,3-diol
CID 5201949
4-[(Z)-N-hydroxy-C-propylcarbonimidoyl]benzene-1,3-diol
CID 136848905
5-butoxy-2-[(Z)-N-hydroxy-C-undecylcarbonimidoyl]phenol
CID 135699539
5-butoxy-2-(N-hydroxy-C-tridecylcarbonimidoyl)phenol
CID 4282509
2-[(E)-C-butyl-N-hydroxycarbonimidoyl]-5-methylphenol
CID 135589132
2-[(Z)-N-hydroxy-C-nonylcarbonimidoyl]-4-methylphenol
CID 135948988
4-[(Z)-N-hydroxy-C-undecylcarbonimidoyl]phenol
CID 136661885
4-[(E)-N-hydroxy-C-undecylcarbonimidoyl]phenol
CID 135822572
4-butoxy-2-[(E)-N-hydroxy-C-undecylcarbonimidoyl]phenol
CID 135615488
4-ethoxy-2-(N-hydroxy-C-tridecylcarbonimidoyl)phenol
CID 5139795
N'-dodecanoyl-2,4-dihydroxybenzohydrazide
CID 18983784

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-N-hydroxy-C-octylcarbonimidoyl]benzene-1,3-diol?
The IUPAC name of 4-[(E)-N-hydroxy-C-octylcarbonimidoyl]benzene-1,3-diol (CID 135679169) is 4-[(E)-N-hydroxy-C-octylcarbonimidoyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(E)-N-hydroxy-C-octylcarbonimidoyl]benzene-1,3-diol?
The canonical SMILES for 4-[(E)-N-hydroxy-C-octylcarbonimidoyl]benzene-1,3-diol is CCCCCCCC/C(=N\O)c1ccc(O)cc1O.
What is the InChIKey of 4-[(E)-N-hydroxy-C-octylcarbonimidoyl]benzene-1,3-diol?
The InChIKey is DXRCRSKLDPCICE-JQIJEIRASA-N. The full InChI is InChI=1S/C15H23NO3/c1-2-3-4-5-6-7-8-14(16-19)13-10-9-12(17)11-15(13)18/h9-11,17-19H,2-8H2,1H3/b16-14+.
What are the key properties of 4-[(E)-N-hydroxy-C-octylcarbonimidoyl]benzene-1,3-diol?
4-[(E)-N-hydroxy-C-octylcarbonimidoyl]benzene-1,3-diol has a molecular weight of 265.35 g/mol, XLogP of 4.03, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-N-hydroxy-C-octylcarbonimidoyl]benzene-1,3-diol is sourced from PubChem (CID 135679169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).