(2,5-dimethoxy-2H-furan-5-yl)methanol

C7H12O4 — CID 13011793

IUPAC(2,5-dimethoxy-2H-furan-5-yl)methanol
SMILESCOC1C=CC(CO)(OC)O1
InChIInChI=1S/C7H12O4/c1-9-6-3-4-7(5-8,10-2)11-6/h3-4,6,8H,5H2,1-2H3
InChIKeyZYTSUANFIPZBDM-UHFFFAOYSA-N
MW160.17 g/mol
LogP-0.12
Rot. Bonds3

About (2,5-dimethoxy-2H-furan-5-yl)methanol

(2,5-dimethoxy-2H-furan-5-yl)methanol (PubChem CID 13011793) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is (2,5-dimethoxy-2H-furan-5-yl)methanol.

Molecular Properties

Compound Name(2,5-dimethoxy-2H-furan-5-yl)methanol
PubChem CID13011793
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name(2,5-dimethoxy-2H-furan-5-yl)methanol
SMILESCOC1C=CC(CO)(OC)O1
InChIInChI=1S/C7H12O4/c1-9-6-3-4-7(5-8,10-2)11-6/h3-4,6,8H,5H2,1-2H3
InChIKeyZYTSUANFIPZBDM-UHFFFAOYSA-N
XLogP-0.12
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.12
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

ethyl 2,3-dideoxy-D-hex-2-enopyranoside
CID 97305
2-(Dimethoxymethyl)-2,5-dihydro-2,5-dimethoxyfuran
CID 108407
6-Ethoxy-3,6-dihydro-3-hydroxy-2H-pyran-2-methanol
CID 271273
1,6-anhydro-3,4-dideoxy-beta-D-threo-hex-3-enopyranose
CID 11804774
1-(2,5-Dimethoxy-2,5-dihydrofuran-2-yl)ethanol
CID 2733895
2-(hydroxymethyl)-6-methoxy-3,6-dihydro-2H-pyran-3-ol
CID 360943
(2S,3S,6R)-6-methoxy-2-methyl-3,6-dihydro-2H-pyran-3-ol
CID 11008031
5-Hydroxy-2-methoxy-5,6-dihydro-2h-pyran
CID 11400783
[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methanol
CID 11788550
6,8-Dioxabicyclo[3.2.1]oct-2-en-4-ol
CID 14585265
1,6-anhydro-3,4-dideoxy-beta-D-erythro-hex-3-enopyranose
CID 14585268
Pentenyl-1,3-dioxolane-4-methanol, (E)-
CID 69669515

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxy-2H-furan-5-yl)methanol?
The IUPAC name of (2,5-dimethoxy-2H-furan-5-yl)methanol (CID 13011793) is (2,5-dimethoxy-2H-furan-5-yl)methanol.
What is the SMILES notation for (2,5-dimethoxy-2H-furan-5-yl)methanol?
The canonical SMILES for (2,5-dimethoxy-2H-furan-5-yl)methanol is COC1C=CC(CO)(OC)O1.
What is the InChIKey of (2,5-dimethoxy-2H-furan-5-yl)methanol?
The InChIKey is ZYTSUANFIPZBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c1-9-6-3-4-7(5-8,10-2)11-6/h3-4,6,8H,5H2,1-2H3.
What are the key properties of (2,5-dimethoxy-2H-furan-5-yl)methanol?
(2,5-dimethoxy-2H-furan-5-yl)methanol has a molecular weight of 160.17 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxy-2H-furan-5-yl)methanol is sourced from PubChem (CID 13011793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).