3-(2,5-dimethoxy-2H-furan-5-yl)propan-1-ol

C9H16O4 — CID 86175075

IUPAC3-(2,5-dimethoxy-2H-furan-5-yl)propan-1-ol
SMILESCOC1C=CC(CCCO)(OC)O1
InChIInChI=1S/C9H16O4/c1-11-8-4-6-9(12-2,13-8)5-3-7-10/h4,6,8,10H,3,5,7H2,1-2H3
InChIKeyVDYICCGKEDKSFK-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.66
Rot. Bonds5

About 3-(2,5-dimethoxy-2H-furan-5-yl)propan-1-ol

3-(2,5-dimethoxy-2H-furan-5-yl)propan-1-ol (PubChem CID 86175075) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 3-(2,5-dimethoxy-2H-furan-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2,5-dimethoxy-2H-furan-5-yl)propan-1-ol
PubChem CID86175075
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name3-(2,5-dimethoxy-2H-furan-5-yl)propan-1-ol
SMILESCOC1C=CC(CCCO)(OC)O1
InChIInChI=1S/C9H16O4/c1-11-8-4-6-9(12-2,13-8)5-3-7-10/h4,6,8,10H,3,5,7H2,1-2H3
InChIKeyVDYICCGKEDKSFK-UHFFFAOYSA-N
XLogP0.66
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_misc_A(5)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxy-2H-furan-5-yl)propan-1-ol?
The IUPAC name of 3-(2,5-dimethoxy-2H-furan-5-yl)propan-1-ol (CID 86175075) is 3-(2,5-dimethoxy-2H-furan-5-yl)propan-1-ol.
What is the SMILES notation for 3-(2,5-dimethoxy-2H-furan-5-yl)propan-1-ol?
The canonical SMILES for 3-(2,5-dimethoxy-2H-furan-5-yl)propan-1-ol is COC1C=CC(CCCO)(OC)O1.
What is the InChIKey of 3-(2,5-dimethoxy-2H-furan-5-yl)propan-1-ol?
The InChIKey is VDYICCGKEDKSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-11-8-4-6-9(12-2,13-8)5-3-7-10/h4,6,8,10H,3,5,7H2,1-2H3.
What are the key properties of 3-(2,5-dimethoxy-2H-furan-5-yl)propan-1-ol?
3-(2,5-dimethoxy-2H-furan-5-yl)propan-1-ol has a molecular weight of 188.22 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxy-2H-furan-5-yl)propan-1-ol is sourced from PubChem (CID 86175075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).