1-[2-(hydroxyamino)-4-methylphenyl]ethanol

C9H13NO2 — CID 126676933

IUPAC1-[2-(hydroxyamino)-4-methylphenyl]ethanol
SMILESCc1ccc(C(C)O)c(NO)c1
InChIInChI=1S/C9H13NO2/c1-6-3-4-8(7(2)11)9(5-6)10-12/h3-5,7,10-12H,1-2H3
InChIKeyZSQXEIUQWLIPHH-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.85
Rot. Bonds2

About 1-[2-(hydroxyamino)-4-methylphenyl]ethanol

1-[2-(hydroxyamino)-4-methylphenyl]ethanol (PubChem CID 126676933) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-[2-(hydroxyamino)-4-methylphenyl]ethanol.

Molecular Properties

Compound Name1-[2-(hydroxyamino)-4-methylphenyl]ethanol
PubChem CID126676933
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name1-[2-(hydroxyamino)-4-methylphenyl]ethanol
SMILESCc1ccc(C(C)O)c(NO)c1
InChIInChI=1S/C9H13NO2/c1-6-3-4-8(7(2)11)9(5-6)10-12/h3-5,7,10-12H,1-2H3
InChIKeyZSQXEIUQWLIPHH-UHFFFAOYSA-N
XLogP1.85
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S)-1-hydroxyethyl]-5-methylbenzonitrile
CID 130685833
2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]propanenitrile
CID 63651183
2-[2-(1-hydroxyethyl)-5-methylphenoxy]propanenitrile
CID 63650742
1-[2-(2-hydroxyethyl)-4-methylphenyl]ethanol
CID 23401794
2-(1-hydroxyethyl)-5-methylbenzenesulfonic acid
CID 141431944
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]hydroxylamine
CID 130067534
1-(2-chloro-5-methylphenyl)ethanol;ethane
CID 143592290
(1S)-1-(4-methyl-2-nitrophenyl)ethanol
CID 155352153
(2-fluoro-4-methylphenyl)methanediol
CID 129136979
(1R)-1-(4-methyl-2-nonoxyphenyl)ethanol
CID 78947128
N-chloro-2,5-dimethylaniline
CID 141218472
1-(4-methyl-2-prop-2-enoxyphenyl)ethanol
CID 63651849

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxyamino)-4-methylphenyl]ethanol?
The IUPAC name of 1-[2-(hydroxyamino)-4-methylphenyl]ethanol (CID 126676933) is 1-[2-(hydroxyamino)-4-methylphenyl]ethanol.
What is the SMILES notation for 1-[2-(hydroxyamino)-4-methylphenyl]ethanol?
The canonical SMILES for 1-[2-(hydroxyamino)-4-methylphenyl]ethanol is Cc1ccc(C(C)O)c(NO)c1.
What is the InChIKey of 1-[2-(hydroxyamino)-4-methylphenyl]ethanol?
The InChIKey is ZSQXEIUQWLIPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-6-3-4-8(7(2)11)9(5-6)10-12/h3-5,7,10-12H,1-2H3.
What are the key properties of 1-[2-(hydroxyamino)-4-methylphenyl]ethanol?
1-[2-(hydroxyamino)-4-methylphenyl]ethanol has a molecular weight of 167.21 g/mol, XLogP of 1.85, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxyamino)-4-methylphenyl]ethanol is sourced from PubChem (CID 126676933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).