2-(2-hydroxyethoxy)propane-1,3-diol

C5H12O4 — CID 19067848

IUPAC2-(2-hydroxyethoxy)propane-1,3-diol
SMILESOCCOC(CO)CO
InChIInChI=1S/C5H12O4/c6-1-2-9-5(3-7)4-8/h5-8H,1-4H2
InChIKeyBVYFLKAWQNLDST-UHFFFAOYSA-N
MW136.15 g/mol
LogP-1.65
Rot. Bonds5

About 2-(2-hydroxyethoxy)propane-1,3-diol

2-(2-hydroxyethoxy)propane-1,3-diol (PubChem CID 19067848) has the molecular formula C5H12O4 and a molecular weight of 136.15 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)propane-1,3-diol.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)propane-1,3-diol
PubChem CID19067848
Molecular FormulaC5H12O4
Molecular Weight136.15 g/mol
Exact Mass136.07
IUPAC Name2-(2-hydroxyethoxy)propane-1,3-diol
SMILESOCCOC(CO)CO
InChIInChI=1S/C5H12O4/c6-1-2-9-5(3-7)4-8/h5-8H,1-4H2
InChIKeyBVYFLKAWQNLDST-UHFFFAOYSA-N
XLogP-1.65
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 5-1.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(2-hydroxyethoxy)propane-1,3-diol with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-hydroxyethoxy)-3-[2-(2-hydroxyethoxy)ethoxy]propan-1-ol
CID 59567842
5-(2-hydroxyethoxy)-2,2-bis(hydroxymethyl)hexane-1,6-diol
CID 20523698
2-(hydroxymethoxy)propane-1,3-diol
CID 59644967
3-(2-hydroxyethoxy)pentanedioic acid
CID 87839314
2-propoxypentan-1-ol
CID 140655109
2-(2,2,6,6-tetramethylheptan-4-yloxy)ethanol
CID 168837690
(2S)-2-(2-hydroxyethoxy)propan-1-ol
CID 87093044
2-hexadecoxypropane-1,3-diol
CID 12924931
2-(4-methylpentoxy)propane-1,3-diol
CID 141356566
2-[3-(2-hydroxyethoxy)butan-2-yloxy]ethanol
CID 14291300
2-(sulfanylmethoxy)propane-1,3-diol
CID 87448610
2-docosan-10-yloxyethanol
CID 173141834

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)propane-1,3-diol?
The IUPAC name of 2-(2-hydroxyethoxy)propane-1,3-diol (CID 19067848) is 2-(2-hydroxyethoxy)propane-1,3-diol.
What is the SMILES notation for 2-(2-hydroxyethoxy)propane-1,3-diol?
The canonical SMILES for 2-(2-hydroxyethoxy)propane-1,3-diol is OCCOC(CO)CO.
What is the InChIKey of 2-(2-hydroxyethoxy)propane-1,3-diol?
The InChIKey is BVYFLKAWQNLDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O4/c6-1-2-9-5(3-7)4-8/h5-8H,1-4H2.
What are the key properties of 2-(2-hydroxyethoxy)propane-1,3-diol?
2-(2-hydroxyethoxy)propane-1,3-diol has a molecular weight of 136.15 g/mol, XLogP of -1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)propane-1,3-diol is sourced from PubChem (CID 19067848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).