4-(4-methoxyanilino)oxolan-3-ol

C11H15NO3 — CID 60902076

IUPAC4-(4-methoxyanilino)oxolan-3-ol
SMILESCOc1ccc(NC2COCC2O)cc1
InChIInChI=1S/C11H15NO3/c1-14-9-4-2-8(3-5-9)12-10-6-15-7-11(10)13/h2-5,10-13H,6-7H2,1H3
InChIKeyMQTIBINNRCLVAD-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.87
Rot. Bonds3

About 4-(4-methoxyanilino)oxolan-3-ol

4-(4-methoxyanilino)oxolan-3-ol (PubChem CID 60902076) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-(4-methoxyanilino)oxolan-3-ol.

Molecular Properties

Compound Name4-(4-methoxyanilino)oxolan-3-ol
PubChem CID60902076
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name4-(4-methoxyanilino)oxolan-3-ol
SMILESCOc1ccc(NC2COCC2O)cc1
InChIInChI=1S/C11H15NO3/c1-14-9-4-2-8(3-5-9)12-10-6-15-7-11(10)13/h2-5,10-13H,6-7H2,1H3
InChIKeyMQTIBINNRCLVAD-UHFFFAOYSA-N
XLogP0.87
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyanilino)oxolan-3-ol?
The IUPAC name of 4-(4-methoxyanilino)oxolan-3-ol (CID 60902076) is 4-(4-methoxyanilino)oxolan-3-ol.
What is the SMILES notation for 4-(4-methoxyanilino)oxolan-3-ol?
The canonical SMILES for 4-(4-methoxyanilino)oxolan-3-ol is COc1ccc(NC2COCC2O)cc1.
What is the InChIKey of 4-(4-methoxyanilino)oxolan-3-ol?
The InChIKey is MQTIBINNRCLVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-14-9-4-2-8(3-5-9)12-10-6-15-7-11(10)13/h2-5,10-13H,6-7H2,1H3.
What are the key properties of 4-(4-methoxyanilino)oxolan-3-ol?
4-(4-methoxyanilino)oxolan-3-ol has a molecular weight of 209.25 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyanilino)oxolan-3-ol is sourced from PubChem (CID 60902076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).