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

C9H16O4 — CID 139644805

IUPAC2-(2,5-dimethoxy-2H-furan-5-yl)propan-2-ol
SMILESCOC1C=CC(OC)(C(C)(C)O)O1
InChIInChI=1S/C9H16O4/c1-8(2,10)9(12-4)6-5-7(11-3)13-9/h5-7,10H,1-4H3
InChIKeyAYPKHZBTNGCSHS-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.66
Rot. Bonds3

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

2-(2,5-dimethoxy-2H-furan-5-yl)propan-2-ol (PubChem CID 139644805) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 2-(2,5-dimethoxy-2H-furan-5-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2,5-dimethoxy-2H-furan-5-yl)propan-2-ol
PubChem CID139644805
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name2-(2,5-dimethoxy-2H-furan-5-yl)propan-2-ol
SMILESCOC1C=CC(OC)(C(C)(C)O)O1
InChIInChI=1S/C9H16O4/c1-8(2,10)9(12-4)6-5-7(11-3)13-9/h5-7,10H,1-4H3
InChIKeyAYPKHZBTNGCSHS-UHFFFAOYSA-N
XLogP0.66
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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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Related Compounds

(2,5-Dimethoxy-2,5-dihydrofuran-2-yl)methanol
CID 13011793
(2R,3S,6S)-2-(hydroxymethyl)-6-isopentyloxy-3,6-dihydro-2H-pyran-3-ol
CID 54580323
2-(Dimethoxymethyl)-2,5-dihydro-2,5-dimethoxyfuran
CID 108407
1-(2,5-Dimethoxy-2,5-dihydrofuran-2-yl)ethanol
CID 2733895
1-(2,5-dimethoxy-2H-furan-5-yl)propan-1-ol
CID 332603
(2S,3S,6S)-2-(iodomethyl)-6-methoxy-3-methyl-2,6-dihydropyran-3-ol
CID 11346632
(E,2R)-2-[(2R)-oxiran-2-yl]-4-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]but-3-en-2-ol
CID 11817654
5-(diethoxymethyl)-2,5-diethoxy-2H-furan
CID 12770201
(1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]ethanol
CID 46186038
2-(5-Ethyl-2,5-dimethoxyfuran-2-yl)butan-2-ol
CID 134860299
(S)-[(2R,5R)-2-hydroperoxy-5-methoxy-5-methylfuran-2-yl]-methoxymethanol
CID 134893682
(Z)-4-(4,4-dimethyl-1,3-dioxolan-2-yl)but-3-en-1-ol
CID 134982544

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxy-2H-furan-5-yl)propan-2-ol?
The IUPAC name of 2-(2,5-dimethoxy-2H-furan-5-yl)propan-2-ol (CID 139644805) is 2-(2,5-dimethoxy-2H-furan-5-yl)propan-2-ol.
What is the SMILES notation for 2-(2,5-dimethoxy-2H-furan-5-yl)propan-2-ol?
The canonical SMILES for 2-(2,5-dimethoxy-2H-furan-5-yl)propan-2-ol is COC1C=CC(OC)(C(C)(C)O)O1.
What is the InChIKey of 2-(2,5-dimethoxy-2H-furan-5-yl)propan-2-ol?
The InChIKey is AYPKHZBTNGCSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-8(2,10)9(12-4)6-5-7(11-3)13-9/h5-7,10H,1-4H3.
What are the key properties of 2-(2,5-dimethoxy-2H-furan-5-yl)propan-2-ol?
2-(2,5-dimethoxy-2H-furan-5-yl)propan-2-ol has a molecular weight of 188.22 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxy-2H-furan-5-yl)propan-2-ol is sourced from PubChem (CID 139644805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).