5-butoxy-2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenol

C13H19NO3 — CID 137035171

IUPAC5-butoxy-2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenol
SMILESCCCCOc1ccc(/C(CC)=N/O)c(O)c1
InChIInChI=1S/C13H19NO3/c1-3-5-8-17-10-6-7-11(13(15)9-10)12(4-2)14-16/h6-7,9,15-16H,3-5,8H2,1-2H3/b14-12+
InChIKeyGNGNGFZQDFMYLP-WYMLVPIESA-N
MW237.30 g/mol
LogP3.16
Rot. Bonds6

About 5-butoxy-2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenol

5-butoxy-2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenol (PubChem CID 137035171) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-butoxy-2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenol.

Molecular Properties

Compound Name5-butoxy-2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenol
PubChem CID137035171
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name5-butoxy-2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenol
SMILESCCCCOc1ccc(/C(CC)=N/O)c(O)c1
InChIInChI=1S/C13H19NO3/c1-3-5-8-17-10-6-7-11(13(15)9-10)12(4-2)14-16/h6-7,9,15-16H,3-5,8H2,1-2H3/b14-12+
InChIKeyGNGNGFZQDFMYLP-WYMLVPIESA-N
XLogP3.16
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.16
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
5-butoxy-2-(N-hydroxy-C-tridecylcarbonimidoyl)phenol
CID 4282509
2-[(E)-C-benzyl-N-hydroxycarbonimidoyl]-5-hexoxyphenol
CID 135699007
2-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-5-decoxyphenol
CID 135717091
5-butoxy-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenol
CID 136848935
4-butoxy-2-[(E)-N-hydroxy-C-undecylcarbonimidoyl]phenol
CID 135615488
5-hexoxy-2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenol
CID 135699307
2-(N-hydroxy-C-propylcarbonimidoyl)-5-phenylmethoxyphenol
CID 4197796
5-butoxy-2-methylphenol
CID 59445644
4-[(E)-N-hydroxy-C-octylcarbonimidoyl]benzene-1,3-diol
CID 135679169
4-(N-hydroxy-C-nonylcarbonimidoyl)benzene-1,3-diol
CID 4643220
5-dodecoxy-2-[(Z)-C-ethyl-N-(4-nitroanilino)carbonimidoyl]phenol
CID 136886762

Frequently Asked Questions

What is the IUPAC name of 5-butoxy-2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenol?
The IUPAC name of 5-butoxy-2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenol (CID 137035171) is 5-butoxy-2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenol.
What is the SMILES notation for 5-butoxy-2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenol?
The canonical SMILES for 5-butoxy-2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenol is CCCCOc1ccc(/C(CC)=N/O)c(O)c1.
What is the InChIKey of 5-butoxy-2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenol?
The InChIKey is GNGNGFZQDFMYLP-WYMLVPIESA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-5-8-17-10-6-7-11(13(15)9-10)12(4-2)14-16/h6-7,9,15-16H,3-5,8H2,1-2H3/b14-12+.
What are the key properties of 5-butoxy-2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenol?
5-butoxy-2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenol has a molecular weight of 237.30 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenol is sourced from PubChem (CID 137035171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).