2-(1-hydroxypropan-2-yloxy)propane-1,3-diol

C6H14O4 — CID 54551679

IUPAC2-(1-hydroxypropan-2-yloxy)propane-1,3-diol
SMILESCC(CO)OC(CO)CO
InChIInChI=1S/C6H14O4/c1-5(2-7)10-6(3-8)4-9/h5-9H,2-4H2,1H3
InChIKeyZKIOTKCGNGCWRC-UHFFFAOYSA-N
MW150.17 g/mol
LogP-1.26
Rot. Bonds5

About 2-(1-hydroxypropan-2-yloxy)propane-1,3-diol

2-(1-hydroxypropan-2-yloxy)propane-1,3-diol (PubChem CID 54551679) has the molecular formula C6H14O4 and a molecular weight of 150.17 g/mol. Its IUPAC name is 2-(1-hydroxypropan-2-yloxy)propane-1,3-diol.

Molecular Properties

Compound Name2-(1-hydroxypropan-2-yloxy)propane-1,3-diol
PubChem CID54551679
Molecular FormulaC6H14O4
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name2-(1-hydroxypropan-2-yloxy)propane-1,3-diol
SMILESCC(CO)OC(CO)CO
InChIInChI=1S/C6H14O4/c1-5(2-7)10-6(3-8)4-9/h5-9H,2-4H2,1H3
InChIKeyZKIOTKCGNGCWRC-UHFFFAOYSA-N
XLogP-1.26
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(1-hydroxypropan-2-yloxy)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-[2,3-bis(1-hydroxypropan-2-yloxy)propoxy]propan-1-ol
CID 59464535
(2S)-2-(1-aminoethoxy)propan-1-ol
CID 142604157
2-(1-nitropropan-2-yloxy)propane-1,3-diol
CID 163417305
2-butan-2-yloxypropan-1-ol;fluoromethane
CID 145107348
2-(1-hydroxypropan-2-yloxy)-3-(2-prop-2-ynoxyethoxy)propan-1-ol
CID 158558957
(2S)-2-[(1R)-1-ethoxyethoxy]propan-1-ol
CID 101001545
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propan-1-ol
CID 175979976
2-(1-hydroxypropan-2-yloxy)-1-iodopropan-1-ol
CID 57156447
(2R)-2-[(2S)-1-silyloxypropan-2-yl]oxybutan-1-ol
CID 123678229
(2S)-2-[(2S)-1-(propan-2-ylamino)-3-propan-2-yloxypropan-2-yl]oxypropan-1-ol
CID 122488512
2-(1-hydroxy-2-methylpentan-3-yl)oxypropane-1,3-diol
CID 89209098
(2R)-3-fluoro-2-[(2R)-hexan-2-yl]oxypropan-1-ol
CID 126704300

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxypropan-2-yloxy)propane-1,3-diol?
The IUPAC name of 2-(1-hydroxypropan-2-yloxy)propane-1,3-diol (CID 54551679) is 2-(1-hydroxypropan-2-yloxy)propane-1,3-diol.
What is the SMILES notation for 2-(1-hydroxypropan-2-yloxy)propane-1,3-diol?
The canonical SMILES for 2-(1-hydroxypropan-2-yloxy)propane-1,3-diol is CC(CO)OC(CO)CO.
What is the InChIKey of 2-(1-hydroxypropan-2-yloxy)propane-1,3-diol?
The InChIKey is ZKIOTKCGNGCWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O4/c1-5(2-7)10-6(3-8)4-9/h5-9H,2-4H2,1H3.
What are the key properties of 2-(1-hydroxypropan-2-yloxy)propane-1,3-diol?
2-(1-hydroxypropan-2-yloxy)propane-1,3-diol has a molecular weight of 150.17 g/mol, XLogP of -1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxypropan-2-yloxy)propane-1,3-diol is sourced from PubChem (CID 54551679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).