2-(N-hydroxy-C-propylcarbonimidoyl)phenol

C10H13NO2 — CID 577235

IUPAC2-(N-hydroxy-C-propylcarbonimidoyl)phenol
SMILESCCCC(=NO)c1ccccc1O
InChIInChI=1S/C10H13NO2/c1-2-5-9(11-13)8-6-3-4-7-10(8)12/h3-4,6-7,12-13H,2,5H2,1H3
InChIKeyAOSGOCYIFCTFQU-UHFFFAOYSA-N
MW179.22 g/mol
LogP2.37
Rot. Bonds3

About 2-(N-hydroxy-C-propylcarbonimidoyl)phenol

2-(N-hydroxy-C-propylcarbonimidoyl)phenol (PubChem CID 577235) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(N-hydroxy-C-propylcarbonimidoyl)phenol.

Molecular Properties

Compound Name2-(N-hydroxy-C-propylcarbonimidoyl)phenol
PubChem CID577235
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2-(N-hydroxy-C-propylcarbonimidoyl)phenol
SMILESCCCC(=NO)c1ccccc1O
InChIInChI=1S/C10H13NO2/c1-2-5-9(11-13)8-6-3-4-7-10(8)12/h3-4,6-7,12-13H,2,5H2,1H3
InChIKeyAOSGOCYIFCTFQU-UHFFFAOYSA-N
XLogP2.37
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.37
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'}

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Related Compounds

4-[(Z)-N-hydroxy-C-propylcarbonimidoyl]benzene-1,3-diol
CID 136848905
2-[(E)-N-hydroxy-C-(2-phenylethyl)carbonimidoyl]phenol;hydrate
CID 137291939
2-[C-(bromomethyl)-N-hydroxycarbonimidoyl]phenol
CID 5154679
2-(N-hydroxy-C-propylcarbonimidoyl)-5-phenylmethoxyphenol
CID 4197796
(NE)-N-[1-(1H-indol-3-yl)butylidene]hydroxylamine
CID 135449264
2-hex-2-en-3-ylphenol
CID 57154775
2-[(E)-C-butyl-N-hydroxycarbonimidoyl]-5-methylphenol
CID 135589132
4-(N-hydroxy-C-nonylcarbonimidoyl)benzene-1,3-diol
CID 4643220
4-[(E)-N-hydroxy-C-octylcarbonimidoyl]benzene-1,3-diol
CID 135679169
2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 135410018
sodium (2Z)-2-hydroxyimino-2-(2-hydroxyphenyl)ethanesulfonate
CID 135606638
2-[(Z)-N-hydroxy-C-nonylcarbonimidoyl]-4-methylphenol
CID 135948988

Frequently Asked Questions

What is the IUPAC name of 2-(N-hydroxy-C-propylcarbonimidoyl)phenol?
The IUPAC name of 2-(N-hydroxy-C-propylcarbonimidoyl)phenol (CID 577235) is 2-(N-hydroxy-C-propylcarbonimidoyl)phenol.
What is the SMILES notation for 2-(N-hydroxy-C-propylcarbonimidoyl)phenol?
The canonical SMILES for 2-(N-hydroxy-C-propylcarbonimidoyl)phenol is CCCC(=NO)c1ccccc1O.
What is the InChIKey of 2-(N-hydroxy-C-propylcarbonimidoyl)phenol?
The InChIKey is AOSGOCYIFCTFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-2-5-9(11-13)8-6-3-4-7-10(8)12/h3-4,6-7,12-13H,2,5H2,1H3.
What are the key properties of 2-(N-hydroxy-C-propylcarbonimidoyl)phenol?
2-(N-hydroxy-C-propylcarbonimidoyl)phenol has a molecular weight of 179.22 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-hydroxy-C-propylcarbonimidoyl)phenol is sourced from PubChem (CID 577235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).