2-[1-(hydroxyamino)ethyl]-4-methoxyphenol

C9H13NO3 — CID 82685754

IUPAC2-[1-(hydroxyamino)ethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(C(C)NO)c1
InChIInChI=1S/C9H13NO3/c1-6(10-12)8-5-7(13-2)3-4-9(8)11/h3-6,10-12H,1-2H3
InChIKeyBVYVFMYLHILZAF-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.44
Rot. Bonds3

About 2-[1-(hydroxyamino)ethyl]-4-methoxyphenol

2-[1-(hydroxyamino)ethyl]-4-methoxyphenol (PubChem CID 82685754) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-[1-(hydroxyamino)ethyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[1-(hydroxyamino)ethyl]-4-methoxyphenol
PubChem CID82685754
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name2-[1-(hydroxyamino)ethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(C(C)NO)c1
InChIInChI=1S/C9H13NO3/c1-6(10-12)8-5-7(13-2)3-4-9(8)11/h3-6,10-12H,1-2H3
InChIKeyBVYVFMYLHILZAF-UHFFFAOYSA-N
XLogP1.44
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-hydroxy-5-methoxyphenyl)methanediol
CID 69473075
2-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]-4-methoxyphenol
CID 104980961
2-[1-(but-2-ynylamino)ethyl]-4-methoxyphenol
CID 115900748
4-methoxy-2-[1-(prop-2-ynylamino)ethyl]phenol
CID 43189507
2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]propanamide
CID 43545388
2-[1-(2,6-dibromoanilino)ethyl]-4-methoxyphenol
CID 107597660
2-[1-[2-(dimethylamino)ethylamino]ethyl]-4-methoxyphenol
CID 16775145
2-[1-(3,4-dimethylanilino)ethyl]-4-methoxyphenol
CID 43194154
4-methoxy-2-[1-(2,2,2-trifluoroethoxyamino)ethyl]phenol
CID 82712637
2-[1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethyl]-4-methoxyphenol
CID 81351233
2-[1-(3-aminopropylamino)ethyl]-4-methoxyphenol
CID 60889873
2-[1-[1-(2,5-dimethylthiophen-3-yl)ethylamino]ethyl]-4-methoxyphenol
CID 43737447

Frequently Asked Questions

What is the IUPAC name of 2-[1-(hydroxyamino)ethyl]-4-methoxyphenol?
The IUPAC name of 2-[1-(hydroxyamino)ethyl]-4-methoxyphenol (CID 82685754) is 2-[1-(hydroxyamino)ethyl]-4-methoxyphenol.
What is the SMILES notation for 2-[1-(hydroxyamino)ethyl]-4-methoxyphenol?
The canonical SMILES for 2-[1-(hydroxyamino)ethyl]-4-methoxyphenol is COc1ccc(O)c(C(C)NO)c1.
What is the InChIKey of 2-[1-(hydroxyamino)ethyl]-4-methoxyphenol?
The InChIKey is BVYVFMYLHILZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-6(10-12)8-5-7(13-2)3-4-9(8)11/h3-6,10-12H,1-2H3.
What are the key properties of 2-[1-(hydroxyamino)ethyl]-4-methoxyphenol?
2-[1-(hydroxyamino)ethyl]-4-methoxyphenol has a molecular weight of 183.21 g/mol, XLogP of 1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(hydroxyamino)ethyl]-4-methoxyphenol is sourced from PubChem (CID 82685754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).