5-butyl-2-(N-hydroxy-C-methylcarbonimidoyl)phenol

C12H17NO2 — CID 154396008

IUPAC5-butyl-2-(N-hydroxy-C-methylcarbonimidoyl)phenol
SMILESCCCCc1ccc(C(C)=NO)c(O)c1
InChIInChI=1S/C12H17NO2/c1-3-4-5-10-6-7-11(9(2)13-15)12(14)8-10/h6-8,14-15H,3-5H2,1-2H3
InChIKeyAFUKJGIISULZPA-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.93
Rot. Bonds4

About 5-butyl-2-(N-hydroxy-C-methylcarbonimidoyl)phenol

5-butyl-2-(N-hydroxy-C-methylcarbonimidoyl)phenol (PubChem CID 154396008) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 5-butyl-2-(N-hydroxy-C-methylcarbonimidoyl)phenol.

Molecular Properties

Compound Name5-butyl-2-(N-hydroxy-C-methylcarbonimidoyl)phenol
PubChem CID154396008
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name5-butyl-2-(N-hydroxy-C-methylcarbonimidoyl)phenol
SMILESCCCCc1ccc(C(C)=NO)c(O)c1
InChIInChI=1S/C12H17NO2/c1-3-4-5-10-6-7-11(9(2)13-15)12(14)8-10/h6-8,14-15H,3-5H2,1-2H3
InChIKeyAFUKJGIISULZPA-UHFFFAOYSA-N
XLogP2.93
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-butyl-2-(N-hydroxy-C-methylcarbonimidoyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hexyl-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 135698782
5-(aminomethyl)-2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 143273094
4-butyl-2-hydroxybenzoic acid
CID 14895249
4-butyl-2-methylphenol
CID 10964856
2-butyl-5-pentadecylphenol
CID 175271686
(2,4-dihydroxyphenyl)-(4-dodecyl-2-hydroxyphenyl)methanone
CID 23069369
4-butylbenzene-1,2-diol;phenol
CID 170169190
[4-hydroxy-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]methyl-methyl-dioctylazanium
CID 135475375
(4-hexyl-2-hydroxyphenyl)-phenylmethanone
CID 139676906
2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methoxyphenol
CID 137082808
1-(4-butyl-2-chlorophenyl)ethanone
CID 106659109
5-butyl-2-(2-methylpropyl)phenol
CID 69337414

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-(N-hydroxy-C-methylcarbonimidoyl)phenol?
The IUPAC name of 5-butyl-2-(N-hydroxy-C-methylcarbonimidoyl)phenol (CID 154396008) is 5-butyl-2-(N-hydroxy-C-methylcarbonimidoyl)phenol.
What is the SMILES notation for 5-butyl-2-(N-hydroxy-C-methylcarbonimidoyl)phenol?
The canonical SMILES for 5-butyl-2-(N-hydroxy-C-methylcarbonimidoyl)phenol is CCCCc1ccc(C(C)=NO)c(O)c1.
What is the InChIKey of 5-butyl-2-(N-hydroxy-C-methylcarbonimidoyl)phenol?
The InChIKey is AFUKJGIISULZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-4-5-10-6-7-11(9(2)13-15)12(14)8-10/h6-8,14-15H,3-5H2,1-2H3.
What are the key properties of 5-butyl-2-(N-hydroxy-C-methylcarbonimidoyl)phenol?
5-butyl-2-(N-hydroxy-C-methylcarbonimidoyl)phenol has a molecular weight of 207.27 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-(N-hydroxy-C-methylcarbonimidoyl)phenol is sourced from PubChem (CID 154396008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).