4-(2-methylanilino)oxolan-3-ol

C11H15NO2 — CID 60901507

IUPAC4-(2-methylanilino)oxolan-3-ol
SMILESCc1ccccc1NC1COCC1O
InChIInChI=1S/C11H15NO2/c1-8-4-2-3-5-9(8)12-10-6-14-7-11(10)13/h2-5,10-13H,6-7H2,1H3
InChIKeyFNGKXBPUTISKNP-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.17
Rot. Bonds2

About 4-(2-methylanilino)oxolan-3-ol

4-(2-methylanilino)oxolan-3-ol (PubChem CID 60901507) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-(2-methylanilino)oxolan-3-ol.

Molecular Properties

Compound Name4-(2-methylanilino)oxolan-3-ol
PubChem CID60901507
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name4-(2-methylanilino)oxolan-3-ol
SMILESCc1ccccc1NC1COCC1O
InChIInChI=1S/C11H15NO2/c1-8-4-2-3-5-9(8)12-10-6-14-7-11(10)13/h2-5,10-13H,6-7H2,1H3
InChIKeyFNGKXBPUTISKNP-UHFFFAOYSA-N
XLogP1.17
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylanilino)oxolan-3-ol?
The IUPAC name of 4-(2-methylanilino)oxolan-3-ol (CID 60901507) is 4-(2-methylanilino)oxolan-3-ol.
What is the SMILES notation for 4-(2-methylanilino)oxolan-3-ol?
The canonical SMILES for 4-(2-methylanilino)oxolan-3-ol is Cc1ccccc1NC1COCC1O.
What is the InChIKey of 4-(2-methylanilino)oxolan-3-ol?
The InChIKey is FNGKXBPUTISKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8-4-2-3-5-9(8)12-10-6-14-7-11(10)13/h2-5,10-13H,6-7H2,1H3.
What are the key properties of 4-(2-methylanilino)oxolan-3-ol?
4-(2-methylanilino)oxolan-3-ol has a molecular weight of 193.25 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylanilino)oxolan-3-ol is sourced from PubChem (CID 60901507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).