1-(2-hydroxypropoxy)propan-2-ol

C6H14O3 — CID 8087

IUPAC1-(2-hydroxypropoxy)propan-2-ol
SMILESCC(O)COCC(C)O
InChIInChI=1S/C6H14O3/c1-5(7)3-9-4-6(2)8/h5-8H,3-4H2,1-2H3
InChIKeyAZUXKVXMJOIAOF-UHFFFAOYSA-N
MW134.18 g/mol
LogP-0.24
Rot. Bonds4

About 1-(2-hydroxypropoxy)propan-2-ol

1-(2-hydroxypropoxy)propan-2-ol (PubChem CID 8087) has the molecular formula C6H14O3 and a molecular weight of 134.18 g/mol. Its IUPAC name is 1-(2-hydroxypropoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-hydroxypropoxy)propan-2-ol
PubChem CID8087
Molecular FormulaC6H14O3
Molecular Weight134.18 g/mol
Exact Mass134.09
IUPAC Name1-(2-hydroxypropoxy)propan-2-ol
SMILESCC(O)COCC(C)O
InChIInChI=1S/C6H14O3/c1-5(7)3-9-4-6(2)8/h5-8H,3-4H2,1-2H3
InChIKeyAZUXKVXMJOIAOF-UHFFFAOYSA-N
XLogP-0.24
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypropoxy)propan-2-ol?
The IUPAC name of 1-(2-hydroxypropoxy)propan-2-ol (CID 8087) is 1-(2-hydroxypropoxy)propan-2-ol.
What is the SMILES notation for 1-(2-hydroxypropoxy)propan-2-ol?
The canonical SMILES for 1-(2-hydroxypropoxy)propan-2-ol is CC(O)COCC(C)O.
What is the InChIKey of 1-(2-hydroxypropoxy)propan-2-ol?
The InChIKey is AZUXKVXMJOIAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3/c1-5(7)3-9-4-6(2)8/h5-8H,3-4H2,1-2H3.
What are the key properties of 1-(2-hydroxypropoxy)propan-2-ol?
1-(2-hydroxypropoxy)propan-2-ol has a molecular weight of 134.18 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropoxy)propan-2-ol is sourced from PubChem (CID 8087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).