(1R)-1-[(2S,5S)-2,5-dimethoxy-2H-furan-5-yl]ethanol

C8H14O4 — CID 7167551

IUPAC(1R)-1-[(2S,5S)-2,5-dimethoxy-2H-furan-5-yl]ethanol
SMILESCO[C@@H]1C=C[C@@](OC)([C@@H](C)O)O1
InChIInChI=1S/C8H14O4/c1-6(9)8(11-3)5-4-7(10-2)12-8/h4-7,9H,1-3H3/t6-,7+,8+/m1/s1
InChIKeyOHXZDCYIALCSNL-CSMHCCOUSA-N
MW174.20 g/mol
LogP0.27
Rot. Bonds3

About (1R)-1-[(2S,5S)-2,5-dimethoxy-2H-furan-5-yl]ethanol

(1R)-1-[(2S,5S)-2,5-dimethoxy-2H-furan-5-yl]ethanol (PubChem CID 7167551) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is (1R)-1-[(2S,5S)-2,5-dimethoxy-2H-furan-5-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(2S,5S)-2,5-dimethoxy-2H-furan-5-yl]ethanol
PubChem CID7167551
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name(1R)-1-[(2S,5S)-2,5-dimethoxy-2H-furan-5-yl]ethanol
SMILESCO[C@@H]1C=C[C@@](OC)([C@@H](C)O)O1
InChIInChI=1S/C8H14O4/c1-6(9)8(11-3)5-4-7(10-2)12-8/h4-7,9H,1-3H3/t6-,7+,8+/m1/s1
InChIKeyOHXZDCYIALCSNL-CSMHCCOUSA-N
XLogP0.27
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.27
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

(1R)-1-(2,5-dimethoxy-2H-furan-5-yl)ethanol
CID 2733897
1-(2,5-dimethoxy-2H-furan-5-yl)ethyl carbamate
CID 154138868
1-(2,5-dimethoxy-2H-furan-5-yl)-2-trityloxypropan-1-ol
CID 14462308
(2S,5R)-2,5-dimethoxy-5-methyl-2H-furan
CID 7171182
[(2S,5R)-2,5-dimethoxy-2H-furan-5-yl]methanol
CID 86312017
2,5-dimethoxy-5-(methoxymethyl)-2H-furan
CID 19900861
2-(2,5-dimethoxy-2H-furan-5-yl)ethanamine
CID 102568268
2-[(2R,5S)-2,5-dimethoxy-2H-furan-5-yl]ethanamine
CID 99988421
methyl 2-methoxy-5-methyl-2H-furan-5-carboperoxoate
CID 19354459
N-[2-(2,5-dimethoxy-2H-furan-5-yl)ethyl]acetamide
CID 102567645
2,4-dimethoxy-2-methyl-3,6-dioxabicyclo[3.1.0]hexane;2,5-dimethoxy-5-methyl-2H-furan
CID 158431138
(2R,5S)-5-(diethoxymethyl)-2,5-diethoxy-2H-furan
CID 124927393

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S,5S)-2,5-dimethoxy-2H-furan-5-yl]ethanol?
The IUPAC name of (1R)-1-[(2S,5S)-2,5-dimethoxy-2H-furan-5-yl]ethanol (CID 7167551) is (1R)-1-[(2S,5S)-2,5-dimethoxy-2H-furan-5-yl]ethanol.
What is the SMILES notation for (1R)-1-[(2S,5S)-2,5-dimethoxy-2H-furan-5-yl]ethanol?
The canonical SMILES for (1R)-1-[(2S,5S)-2,5-dimethoxy-2H-furan-5-yl]ethanol is CO[C@@H]1C=C[C@@](OC)([C@@H](C)O)O1.
What is the InChIKey of (1R)-1-[(2S,5S)-2,5-dimethoxy-2H-furan-5-yl]ethanol?
The InChIKey is OHXZDCYIALCSNL-CSMHCCOUSA-N. The full InChI is InChI=1S/C8H14O4/c1-6(9)8(11-3)5-4-7(10-2)12-8/h4-7,9H,1-3H3/t6-,7+,8+/m1/s1.
What are the key properties of (1R)-1-[(2S,5S)-2,5-dimethoxy-2H-furan-5-yl]ethanol?
(1R)-1-[(2S,5S)-2,5-dimethoxy-2H-furan-5-yl]ethanol has a molecular weight of 174.20 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S,5S)-2,5-dimethoxy-2H-furan-5-yl]ethanol is sourced from PubChem (CID 7167551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).