4-(N-hydroxy-C-nonylcarbonimidoyl)benzene-1,3-diol

C16H25NO3 — CID 4643220

IUPAC4-(N-hydroxy-C-nonylcarbonimidoyl)benzene-1,3-diol
SMILESCCCCCCCCCC(=NO)c1ccc(O)cc1O
InChIInChI=1S/C16H25NO3/c1-2-3-4-5-6-7-8-9-15(17-20)14-11-10-13(18)12-16(14)19/h10-12,18-20H,2-9H2,1H3
InChIKeyGQYDKGNUMXWUNE-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.42
Rot. Bonds9

About 4-(N-hydroxy-C-nonylcarbonimidoyl)benzene-1,3-diol

4-(N-hydroxy-C-nonylcarbonimidoyl)benzene-1,3-diol (PubChem CID 4643220) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-(N-hydroxy-C-nonylcarbonimidoyl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(N-hydroxy-C-nonylcarbonimidoyl)benzene-1,3-diol
PubChem CID4643220
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name4-(N-hydroxy-C-nonylcarbonimidoyl)benzene-1,3-diol
SMILESCCCCCCCCCC(=NO)c1ccc(O)cc1O
InChIInChI=1S/C16H25NO3/c1-2-3-4-5-6-7-8-9-15(17-20)14-11-10-13(18)12-16(14)19/h10-12,18-20H,2-9H2,1H3
InChIKeyGQYDKGNUMXWUNE-UHFFFAOYSA-N
XLogP4.42
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.42
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-[(E)-N-hydroxy-C-octylcarbonimidoyl]benzene-1,3-diol
CID 135679169
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-(N-hydroxy-C-nonylcarbonimidoyl)benzene-1,3-diol?
The IUPAC name of 4-(N-hydroxy-C-nonylcarbonimidoyl)benzene-1,3-diol (CID 4643220) is 4-(N-hydroxy-C-nonylcarbonimidoyl)benzene-1,3-diol.
What is the SMILES notation for 4-(N-hydroxy-C-nonylcarbonimidoyl)benzene-1,3-diol?
The canonical SMILES for 4-(N-hydroxy-C-nonylcarbonimidoyl)benzene-1,3-diol is CCCCCCCCCC(=NO)c1ccc(O)cc1O.
What is the InChIKey of 4-(N-hydroxy-C-nonylcarbonimidoyl)benzene-1,3-diol?
The InChIKey is GQYDKGNUMXWUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-2-3-4-5-6-7-8-9-15(17-20)14-11-10-13(18)12-16(14)19/h10-12,18-20H,2-9H2,1H3.
What are the key properties of 4-(N-hydroxy-C-nonylcarbonimidoyl)benzene-1,3-diol?
4-(N-hydroxy-C-nonylcarbonimidoyl)benzene-1,3-diol has a molecular weight of 279.38 g/mol, XLogP of 4.42, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-hydroxy-C-nonylcarbonimidoyl)benzene-1,3-diol is sourced from PubChem (CID 4643220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).