4-[2-(hydroxyamino)propyl]-2-methoxyphenol

C10H15NO3 — CID 45091599

IUPAC4-[2-(hydroxyamino)propyl]-2-methoxyphenol
SMILESCOc1cc(CC(C)NO)ccc1O
InChIInChI=1S/C10H15NO3/c1-7(11-13)5-8-3-4-9(12)10(6-8)14-2/h3-4,6-7,11-13H,5H2,1-2H3
InChIKeyAPXXOAPQKHNREL-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.31
Rot. Bonds4

About 4-[2-(hydroxyamino)propyl]-2-methoxyphenol

4-[2-(hydroxyamino)propyl]-2-methoxyphenol (PubChem CID 45091599) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 4-[2-(hydroxyamino)propyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[2-(hydroxyamino)propyl]-2-methoxyphenol
PubChem CID45091599
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name4-[2-(hydroxyamino)propyl]-2-methoxyphenol
SMILESCOc1cc(CC(C)NO)ccc1O
InChIInChI=1S/C10H15NO3/c1-7(11-13)5-8-3-4-9(12)10(6-8)14-2/h3-4,6-7,11-13H,5H2,1-2H3
InChIKeyAPXXOAPQKHNREL-UHFFFAOYSA-N
XLogP1.31
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2R)-2-(ethylamino)propyl]-2-methoxyphenol
CID 100950888
4-(2-iodopropyl)-2-methoxyphenol
CID 89111818
2-(4-hydroxy-3-methoxyphenyl)ethane-1,1-diol
CID 146954758
1-(4-hydroxy-3-methoxyphenyl)butane-2,3-diol
CID 71398900
4-[(2R,3S)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol
CID 11725068
4-(2-hydroxy-4-methylpentyl)-2-methoxyphenol
CID 139528685
methyl (3R)-4-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-3-methylbutanoate
CID 143847693
tert-butyl 2-amino-3-(4-hydroxy-3-methoxyphenyl)propanoate
CID 58545613
4-[4-(4-ethenyl-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol
CID 18716327
2-(4-hydroxy-3-methoxyphenyl)ethylazanium
CID 6927014
4-[(2R,3R)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methylphosphanyloxy-2-(methylphosphanyloxymethyl)butyl]-2-methoxyphenol
CID 155415603
3-(4-hydroxy-3-methoxyphenyl)-2-methoxypropanoic acid
CID 18443662

Frequently Asked Questions

What is the IUPAC name of 4-[2-(hydroxyamino)propyl]-2-methoxyphenol?
The IUPAC name of 4-[2-(hydroxyamino)propyl]-2-methoxyphenol (CID 45091599) is 4-[2-(hydroxyamino)propyl]-2-methoxyphenol.
What is the SMILES notation for 4-[2-(hydroxyamino)propyl]-2-methoxyphenol?
The canonical SMILES for 4-[2-(hydroxyamino)propyl]-2-methoxyphenol is COc1cc(CC(C)NO)ccc1O.
What is the InChIKey of 4-[2-(hydroxyamino)propyl]-2-methoxyphenol?
The InChIKey is APXXOAPQKHNREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7(11-13)5-8-3-4-9(12)10(6-8)14-2/h3-4,6-7,11-13H,5H2,1-2H3.
What are the key properties of 4-[2-(hydroxyamino)propyl]-2-methoxyphenol?
4-[2-(hydroxyamino)propyl]-2-methoxyphenol has a molecular weight of 197.23 g/mol, XLogP of 1.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(hydroxyamino)propyl]-2-methoxyphenol is sourced from PubChem (CID 45091599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).