4-[4,4-bis(hydroxymethyl)-1,3-oxazolidin-2-yl]phenol

C11H15NO4 — CID 45486922

IUPAC4-[4,4-bis(hydroxymethyl)-1,3-oxazolidin-2-yl]phenol
SMILESOCC1(CO)COC(c2ccc(O)cc2)N1
InChIInChI=1S/C11H15NO4/c13-5-11(6-14)7-16-10(12-11)8-1-3-9(15)4-2-8/h1-4,10,12-15H,5-7H2
InChIKeyAERFHTUXSQUGAM-UHFFFAOYSA-N
MW225.24 g/mol
LogP-0.27
Rot. Bonds3

About 4-[4,4-bis(hydroxymethyl)-1,3-oxazolidin-2-yl]phenol

4-[4,4-bis(hydroxymethyl)-1,3-oxazolidin-2-yl]phenol (PubChem CID 45486922) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 4-[4,4-bis(hydroxymethyl)-1,3-oxazolidin-2-yl]phenol.

Molecular Properties

Compound Name4-[4,4-bis(hydroxymethyl)-1,3-oxazolidin-2-yl]phenol
PubChem CID45486922
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name4-[4,4-bis(hydroxymethyl)-1,3-oxazolidin-2-yl]phenol
SMILESOCC1(CO)COC(c2ccc(O)cc2)N1
InChIInChI=1S/C11H15NO4/c13-5-11(6-14)7-16-10(12-11)8-1-3-9(15)4-2-8/h1-4,10,12-15H,5-7H2
InChIKeyAERFHTUXSQUGAM-UHFFFAOYSA-N
XLogP-0.27
TPSA81.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 5-0.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-[4,4-bis(hydroxymethyl)-1,3-oxazolidin-2-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4,4-bis(hydroxymethyl)-1,3-oxazolidin-2-yl]phenol?
The IUPAC name of 4-[4,4-bis(hydroxymethyl)-1,3-oxazolidin-2-yl]phenol (CID 45486922) is 4-[4,4-bis(hydroxymethyl)-1,3-oxazolidin-2-yl]phenol.
What is the SMILES notation for 4-[4,4-bis(hydroxymethyl)-1,3-oxazolidin-2-yl]phenol?
The canonical SMILES for 4-[4,4-bis(hydroxymethyl)-1,3-oxazolidin-2-yl]phenol is OCC1(CO)COC(c2ccc(O)cc2)N1.
What is the InChIKey of 4-[4,4-bis(hydroxymethyl)-1,3-oxazolidin-2-yl]phenol?
The InChIKey is AERFHTUXSQUGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c13-5-11(6-14)7-16-10(12-11)8-1-3-9(15)4-2-8/h1-4,10,12-15H,5-7H2.
What are the key properties of 4-[4,4-bis(hydroxymethyl)-1,3-oxazolidin-2-yl]phenol?
4-[4,4-bis(hydroxymethyl)-1,3-oxazolidin-2-yl]phenol has a molecular weight of 225.24 g/mol, XLogP of -0.27, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,4-bis(hydroxymethyl)-1,3-oxazolidin-2-yl]phenol is sourced from PubChem (CID 45486922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).