2-(hydroxyamino)-1-(2-methoxy-4,5-dimethylphenyl)ethanol

C11H17NO3 — CID 82113342

IUPAC2-(hydroxyamino)-1-(2-methoxy-4,5-dimethylphenyl)ethanol
SMILESCOc1cc(C)c(C)cc1C(O)CNO
InChIInChI=1S/C11H17NO3/c1-7-4-9(10(13)6-12-14)11(15-3)5-8(7)2/h4-5,10,12-14H,6H2,1-3H3
InChIKeyCGLYWEXTROCMMM-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.32
Rot. Bonds4

About 2-(hydroxyamino)-1-(2-methoxy-4,5-dimethylphenyl)ethanol

2-(hydroxyamino)-1-(2-methoxy-4,5-dimethylphenyl)ethanol (PubChem CID 82113342) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(hydroxyamino)-1-(2-methoxy-4,5-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-(hydroxyamino)-1-(2-methoxy-4,5-dimethylphenyl)ethanol
PubChem CID82113342
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-(hydroxyamino)-1-(2-methoxy-4,5-dimethylphenyl)ethanol
SMILESCOc1cc(C)c(C)cc1C(O)CNO
InChIInChI=1S/C11H17NO3/c1-7-4-9(10(13)6-12-14)11(15-3)5-8(7)2/h4-5,10,12-14H,6H2,1-3H3
InChIKeyCGLYWEXTROCMMM-UHFFFAOYSA-N
XLogP1.32
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.32
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

5-[1-hydroxy-2-(methylamino)ethyl]-4-methoxy-2-methylphenol
CID 117301897
1-(2,5-dimethoxy-4-methylphenyl)propan-1-ol
CID 10703654
2-(butan-2-ylamino)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
CID 112510505
1-(2,5-dimethoxy-4-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 112514039
1-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-1-ylethanol
CID 82122257
2-chloro-1-(5-chloro-2-methoxy-4-methylphenyl)ethanol
CID 116863542
1-(2-methoxy-4,5-dimethylphenyl)-2-piperazin-1-ylethanol
CID 5136943
1-(2-methoxy-4,5-dimethylphenyl)-2-morpholin-4-ylethanol
CID 82122625
1-(2,5-dimethoxy-4-methylsulfanylphenyl)-2-(methylamino)ethanol
CID 117397134
2-amino-2-(2-methoxy-4,5-dimethylphenyl)ethanol
CID 77129776
amino-(2-methoxy-4,5-dimethylphenyl)methanethiol
CID 116939456
1-(4-fluoro-5-methoxy-2-methylphenyl)-2-(methylamino)ethanol
CID 84782753

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxyamino)-1-(2-methoxy-4,5-dimethylphenyl)ethanol?
The IUPAC name of 2-(hydroxyamino)-1-(2-methoxy-4,5-dimethylphenyl)ethanol (CID 82113342) is 2-(hydroxyamino)-1-(2-methoxy-4,5-dimethylphenyl)ethanol.
What is the SMILES notation for 2-(hydroxyamino)-1-(2-methoxy-4,5-dimethylphenyl)ethanol?
The canonical SMILES for 2-(hydroxyamino)-1-(2-methoxy-4,5-dimethylphenyl)ethanol is COc1cc(C)c(C)cc1C(O)CNO.
What is the InChIKey of 2-(hydroxyamino)-1-(2-methoxy-4,5-dimethylphenyl)ethanol?
The InChIKey is CGLYWEXTROCMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-7-4-9(10(13)6-12-14)11(15-3)5-8(7)2/h4-5,10,12-14H,6H2,1-3H3.
What are the key properties of 2-(hydroxyamino)-1-(2-methoxy-4,5-dimethylphenyl)ethanol?
2-(hydroxyamino)-1-(2-methoxy-4,5-dimethylphenyl)ethanol has a molecular weight of 211.26 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxyamino)-1-(2-methoxy-4,5-dimethylphenyl)ethanol is sourced from PubChem (CID 82113342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).