3-propyl-2,5-dihydrofuran-2-ol

C7H12O2 — CID 163778108

IUPAC3-propyl-2,5-dihydrofuran-2-ol
SMILESCCCC1=CCOC1O
InChIInChI=1S/C7H12O2/c1-2-3-6-4-5-9-7(6)8/h4,7-8H,2-3,5H2,1H3
InChIKeyMMGALMRZPVJDCC-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.06
Rot. Bonds2

About 3-propyl-2,5-dihydrofuran-2-ol

3-propyl-2,5-dihydrofuran-2-ol (PubChem CID 163778108) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 3-propyl-2,5-dihydrofuran-2-ol.

Molecular Properties

Compound Name3-propyl-2,5-dihydrofuran-2-ol
PubChem CID163778108
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name3-propyl-2,5-dihydrofuran-2-ol
SMILESCCCC1=CCOC1O
InChIInChI=1S/C7H12O2/c1-2-3-6-4-5-9-7(6)8/h4,7-8H,2-3,5H2,1H3
InChIKeyMMGALMRZPVJDCC-UHFFFAOYSA-N
XLogP1.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-2,5-dihydrofuran-2-ol?
The IUPAC name of 3-propyl-2,5-dihydrofuran-2-ol (CID 163778108) is 3-propyl-2,5-dihydrofuran-2-ol.
What is the SMILES notation for 3-propyl-2,5-dihydrofuran-2-ol?
The canonical SMILES for 3-propyl-2,5-dihydrofuran-2-ol is CCCC1=CCOC1O.
What is the InChIKey of 3-propyl-2,5-dihydrofuran-2-ol?
The InChIKey is MMGALMRZPVJDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-2-3-6-4-5-9-7(6)8/h4,7-8H,2-3,5H2,1H3.
What are the key properties of 3-propyl-2,5-dihydrofuran-2-ol?
3-propyl-2,5-dihydrofuran-2-ol has a molecular weight of 128.17 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-2,5-dihydrofuran-2-ol is sourced from PubChem (CID 163778108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).