5-anilino-2-(hydroxymethyl)oxolan-3-ol

C11H15NO3 — CID 3095709

IUPAC5-anilino-2-(hydroxymethyl)oxolan-3-ol
SMILESOCC1OC(Nc2ccccc2)CC1O
InChIInChI=1S/C11H15NO3/c13-7-10-9(14)6-11(15-10)12-8-4-2-1-3-5-8/h1-5,9-14H,6-7H2
InChIKeyOYCBOKNPGJKONC-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.57
Rot. Bonds3

About 5-anilino-2-(hydroxymethyl)oxolan-3-ol

5-anilino-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 3095709) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-anilino-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name5-anilino-2-(hydroxymethyl)oxolan-3-ol
PubChem CID3095709
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name5-anilino-2-(hydroxymethyl)oxolan-3-ol
SMILESOCC1OC(Nc2ccccc2)CC1O
InChIInChI=1S/C11H15NO3/c13-7-10-9(14)6-11(15-10)12-8-4-2-1-3-5-8/h1-5,9-14H,6-7H2
InChIKeyOYCBOKNPGJKONC-UHFFFAOYSA-N
XLogP0.57
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-anilino-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of 5-anilino-2-(hydroxymethyl)oxolan-3-ol (CID 3095709) is 5-anilino-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for 5-anilino-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for 5-anilino-2-(hydroxymethyl)oxolan-3-ol is OCC1OC(Nc2ccccc2)CC1O.
What is the InChIKey of 5-anilino-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is OYCBOKNPGJKONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c13-7-10-9(14)6-11(15-10)12-8-4-2-1-3-5-8/h1-5,9-14H,6-7H2.
What are the key properties of 5-anilino-2-(hydroxymethyl)oxolan-3-ol?
5-anilino-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 209.25 g/mol, XLogP of 0.57, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilino-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 3095709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).