2-(1-hydroxypropyl)oxolan-3-ol

C7H14O3 — CID 20736976

IUPAC2-(1-hydroxypropyl)oxolan-3-ol
SMILESCCC(O)C1OCCC1O
InChIInChI=1S/C7H14O3/c1-2-5(8)7-6(9)3-4-10-7/h5-9H,2-4H2,1H3
InChIKeyIAYRSFOFMUQKSS-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.09
Rot. Bonds2

About 2-(1-hydroxypropyl)oxolan-3-ol

2-(1-hydroxypropyl)oxolan-3-ol (PubChem CID 20736976) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-(1-hydroxypropyl)oxolan-3-ol.

Molecular Properties

Compound Name2-(1-hydroxypropyl)oxolan-3-ol
PubChem CID20736976
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name2-(1-hydroxypropyl)oxolan-3-ol
SMILESCCC(O)C1OCCC1O
InChIInChI=1S/C7H14O3/c1-2-5(8)7-6(9)3-4-10-7/h5-9H,2-4H2,1H3
InChIKeyIAYRSFOFMUQKSS-UHFFFAOYSA-N
XLogP-0.09
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxyoxolan-2-yl)ethane-1,2-diol
CID 14057266
3-[(2R)-3-hydroxyoxolan-2-yl]pentanal
CID 163740648
(1R,2R)-1-(3-amino-4-hydroxyoxan-2-yl)propane-1,2,3-triol
CID 70867658
N-[2-(1,2-dihydroxybutyl)-4-hydroxyoxan-3-yl]acetamide
CID 90887662
2-propan-2-yloxane-3,4-diol
CID 70217654
1-(3-methyloxolan-2-yl)butan-1-ol
CID 115780955
(1S)-1-(oxolan-2-yl)propan-1-ol
CID 67355523
(1R)-1-[(2S)-oxolan-2-yl]propan-1-ol
CID 67355521
2-(hydroxymethyl)oxolan-3-ol;methanethiol
CID 172622049
(2R)-5-[(1S)-1-hydroxypropyl]oxolane-2,3,4-triol
CID 138717575
(2S,3R)-2-(hydroxymethyl)oxolan-3-ol
CID 21120394
acetylene;2-(1-hydroxyethyl)oxan-3-ol;methane
CID 159584740

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxypropyl)oxolan-3-ol?
The IUPAC name of 2-(1-hydroxypropyl)oxolan-3-ol (CID 20736976) is 2-(1-hydroxypropyl)oxolan-3-ol.
What is the SMILES notation for 2-(1-hydroxypropyl)oxolan-3-ol?
The canonical SMILES for 2-(1-hydroxypropyl)oxolan-3-ol is CCC(O)C1OCCC1O.
What is the InChIKey of 2-(1-hydroxypropyl)oxolan-3-ol?
The InChIKey is IAYRSFOFMUQKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-2-5(8)7-6(9)3-4-10-7/h5-9H,2-4H2,1H3.
What are the key properties of 2-(1-hydroxypropyl)oxolan-3-ol?
2-(1-hydroxypropyl)oxolan-3-ol has a molecular weight of 146.19 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxypropyl)oxolan-3-ol is sourced from PubChem (CID 20736976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).