3-[4-(2-methoxyethyl)phenoxy]propane-1,2-diol

C12H18O4 — CID 13186849

IUPAC3-[4-(2-methoxyethyl)phenoxy]propane-1,2-diol
SMILESCOCCc1ccc(OCC(O)CO)cc1
InChIInChI=1S/C12H18O4/c1-15-7-6-10-2-4-12(5-3-10)16-9-11(14)8-13/h2-5,11,13-14H,6-9H2,1H3
InChIKeyMELFVOGWPJFQBB-UHFFFAOYSA-N
MW226.27 g/mol
LogP0.61
Rot. Bonds7

About 3-[4-(2-methoxyethyl)phenoxy]propane-1,2-diol

3-[4-(2-methoxyethyl)phenoxy]propane-1,2-diol (PubChem CID 13186849) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is 3-[4-(2-methoxyethyl)phenoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[4-(2-methoxyethyl)phenoxy]propane-1,2-diol
PubChem CID13186849
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name3-[4-(2-methoxyethyl)phenoxy]propane-1,2-diol
SMILESCOCCc1ccc(OCC(O)CO)cc1
InChIInChI=1S/C12H18O4/c1-15-7-6-10-2-4-12(5-3-10)16-9-11(14)8-13/h2-5,11,13-14H,6-9H2,1H3
InChIKeyMELFVOGWPJFQBB-UHFFFAOYSA-N
XLogP0.61
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[4-(2-methoxyethyl)phenoxy]propane-1,2-diol 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 3-[4-(2-methoxyethyl)phenoxy]propane-1,2-diol?
The IUPAC name of 3-[4-(2-methoxyethyl)phenoxy]propane-1,2-diol (CID 13186849) is 3-[4-(2-methoxyethyl)phenoxy]propane-1,2-diol.
What is the SMILES notation for 3-[4-(2-methoxyethyl)phenoxy]propane-1,2-diol?
The canonical SMILES for 3-[4-(2-methoxyethyl)phenoxy]propane-1,2-diol is COCCc1ccc(OCC(O)CO)cc1.
What is the InChIKey of 3-[4-(2-methoxyethyl)phenoxy]propane-1,2-diol?
The InChIKey is MELFVOGWPJFQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-15-7-6-10-2-4-12(5-3-10)16-9-11(14)8-13/h2-5,11,13-14H,6-9H2,1H3.
What are the key properties of 3-[4-(2-methoxyethyl)phenoxy]propane-1,2-diol?
3-[4-(2-methoxyethyl)phenoxy]propane-1,2-diol has a molecular weight of 226.27 g/mol, XLogP of 0.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyethyl)phenoxy]propane-1,2-diol is sourced from PubChem (CID 13186849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).