4-(aminooxymethoxy)phenol

C7H9NO3 — CID 121274828

IUPAC4-(aminooxymethoxy)phenol
SMILESNOCOc1ccc(O)cc1
InChIInChI=1S/C7H9NO3/c8-11-5-10-7-3-1-6(9)2-4-7/h1-4,9H,5,8H2
InChIKeyVQMKXBRVRCKBMQ-UHFFFAOYSA-N
MW155.15 g/mol
LogP0.62
Rot. Bonds3

About 4-(aminooxymethoxy)phenol

4-(aminooxymethoxy)phenol (PubChem CID 121274828) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 4-(aminooxymethoxy)phenol.

Molecular Properties

Compound Name4-(aminooxymethoxy)phenol
PubChem CID121274828
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name4-(aminooxymethoxy)phenol
SMILESNOCOc1ccc(O)cc1
InChIInChI=1S/C7H9NO3/c8-11-5-10-7-3-1-6(9)2-4-7/h1-4,9H,5,8H2
InChIKeyVQMKXBRVRCKBMQ-UHFFFAOYSA-N
XLogP0.62
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-aminooxyphenol
CID 67279043
4-[5-(4-hydroxyphenoxy)pentoxy]phenol
CID 20548963
4-(2-methoxyethoxymethoxy)phenol
CID 21223145
4-(piperidin-1-yloxymethoxy)phenol
CID 54372756
4-[(4-aminooxyphenyl)methyl]phenol
CID 122683282
4-[4,6-bis[4-(methoxymethoxy)phenyl]-1,3,5-triazin-2-yl]phenol
CID 137270193
4-[(5-aminopyrimidin-2-yl)methoxy]phenol
CID 105470751
4-[(4-aminophenoxy)methyl]phenol;ethane
CID 176977170
4-[[4-[(4-hydroxyphenoxy)methyl]cyclohexyl]methoxy]phenol
CID 118229789
4-(4-prop-2-enoxyphenyl)phenol
CID 14817245
4-(2-amino-3,3-dimethylbutoxy)phenol
CID 117242306
4-[[1-(aminomethyl)cyclopropyl]methoxy]phenol
CID 84664886

Frequently Asked Questions

What is the IUPAC name of 4-(aminooxymethoxy)phenol?
The IUPAC name of 4-(aminooxymethoxy)phenol (CID 121274828) is 4-(aminooxymethoxy)phenol.
What is the SMILES notation for 4-(aminooxymethoxy)phenol?
The canonical SMILES for 4-(aminooxymethoxy)phenol is NOCOc1ccc(O)cc1.
What is the InChIKey of 4-(aminooxymethoxy)phenol?
The InChIKey is VQMKXBRVRCKBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c8-11-5-10-7-3-1-6(9)2-4-7/h1-4,9H,5,8H2.
What are the key properties of 4-(aminooxymethoxy)phenol?
4-(aminooxymethoxy)phenol has a molecular weight of 155.15 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminooxymethoxy)phenol is sourced from PubChem (CID 121274828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).