1-[2-(2-aminooxyethyl)phenyl]ethane-1,2-diol

C10H15NO3 — CID 117287035

IUPAC1-[2-(2-aminooxyethyl)phenyl]ethane-1,2-diol
SMILESNOCCc1ccccc1C(O)CO
InChIInChI=1S/C10H15NO3/c11-14-6-5-8-3-1-2-4-9(8)10(13)7-12/h1-4,10,12-13H,5-7,11H2
InChIKeyPKDYYPAVZQLQPP-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.15
Rot. Bonds5

About 1-[2-(2-aminooxyethyl)phenyl]ethane-1,2-diol

1-[2-(2-aminooxyethyl)phenyl]ethane-1,2-diol (PubChem CID 117287035) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 1-[2-(2-aminooxyethyl)phenyl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[2-(2-aminooxyethyl)phenyl]ethane-1,2-diol
PubChem CID117287035
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name1-[2-(2-aminooxyethyl)phenyl]ethane-1,2-diol
SMILESNOCCc1ccccc1C(O)CO
InChIInChI=1S/C10H15NO3/c11-14-6-5-8-3-1-2-4-9(8)10(13)7-12/h1-4,10,12-13H,5-7,11H2
InChIKeyPKDYYPAVZQLQPP-UHFFFAOYSA-N
XLogP0.15
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.15
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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminooxyethyl)phenyl]ethane-1,2-diol?
The IUPAC name of 1-[2-(2-aminooxyethyl)phenyl]ethane-1,2-diol (CID 117287035) is 1-[2-(2-aminooxyethyl)phenyl]ethane-1,2-diol.
What is the SMILES notation for 1-[2-(2-aminooxyethyl)phenyl]ethane-1,2-diol?
The canonical SMILES for 1-[2-(2-aminooxyethyl)phenyl]ethane-1,2-diol is NOCCc1ccccc1C(O)CO.
What is the InChIKey of 1-[2-(2-aminooxyethyl)phenyl]ethane-1,2-diol?
The InChIKey is PKDYYPAVZQLQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c11-14-6-5-8-3-1-2-4-9(8)10(13)7-12/h1-4,10,12-13H,5-7,11H2.
What are the key properties of 1-[2-(2-aminooxyethyl)phenyl]ethane-1,2-diol?
1-[2-(2-aminooxyethyl)phenyl]ethane-1,2-diol has a molecular weight of 197.23 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminooxyethyl)phenyl]ethane-1,2-diol is sourced from PubChem (CID 117287035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).