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

C7H12O4 — CID 86312017

IUPAC[(2S,5R)-2,5-dimethoxy-2H-furan-5-yl]methanol
SMILESCO[C@@H]1C=C[C@@](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/t6-,7+/m0/s1
InChIKeyZYTSUANFIPZBDM-NKWVEPMBSA-N
MW160.17 g/mol
LogP-0.12
Rot. Bonds3

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

[(2S,5R)-2,5-dimethoxy-2H-furan-5-yl]methanol (PubChem CID 86312017) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is [(2S,5R)-2,5-dimethoxy-2H-furan-5-yl]methanol.

Molecular Properties

Compound Name[(2S,5R)-2,5-dimethoxy-2H-furan-5-yl]methanol
PubChem CID86312017
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name[(2S,5R)-2,5-dimethoxy-2H-furan-5-yl]methanol
SMILESCO[C@@H]1C=C[C@@](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/t6-,7+/m0/s1
InChIKeyZYTSUANFIPZBDM-NKWVEPMBSA-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

2,5-dimethoxy-5-(methoxymethyl)-2H-furan
CID 19900861
2-[(2R,5S)-2,5-dimethoxy-2H-furan-5-yl]ethanamine
CID 99988421
2-(2,5-dimethoxy-2H-furan-5-yl)ethanamine
CID 102568268
N-[2-(2,5-dimethoxy-2H-furan-5-yl)ethyl]acetamide
CID 102567645
(2S,5R)-2,5-dimethoxy-5-methyl-2H-furan
CID 7171182
(1R)-1-(2,5-dimethoxy-2H-furan-5-yl)ethanol
CID 2733897
(1R)-1-[(2S,5S)-2,5-dimethoxy-2H-furan-5-yl]ethanol
CID 7167551
N-[[(2R,5S)-2,5-dimethoxy-2H-furan-5-yl]methyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
CID 7600861
methyl 2-methoxy-5-methyl-2H-furan-5-carboperoxoate
CID 19354459
[5-[(dimethylamino)methyl]-2,5-dimethoxyfuran-2-yl]methanol
CID 101385787
1-(2,5-dimethoxy-2H-furan-5-yl)ethyl carbamate
CID 154138868
N-[[(2R,5R)-2,5-dimethoxy-2H-furan-5-yl]methyl]-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 7295772

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-2,5-dimethoxy-2H-furan-5-yl]methanol?
The IUPAC name of [(2S,5R)-2,5-dimethoxy-2H-furan-5-yl]methanol (CID 86312017) is [(2S,5R)-2,5-dimethoxy-2H-furan-5-yl]methanol.
What is the SMILES notation for [(2S,5R)-2,5-dimethoxy-2H-furan-5-yl]methanol?
The canonical SMILES for [(2S,5R)-2,5-dimethoxy-2H-furan-5-yl]methanol is CO[C@@H]1C=C[C@@](CO)(OC)O1.
What is the InChIKey of [(2S,5R)-2,5-dimethoxy-2H-furan-5-yl]methanol?
The InChIKey is ZYTSUANFIPZBDM-NKWVEPMBSA-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/t6-,7+/m0/s1.
What are the key properties of [(2S,5R)-2,5-dimethoxy-2H-furan-5-yl]methanol?
[(2S,5R)-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 [(2S,5R)-2,5-dimethoxy-2H-furan-5-yl]methanol is sourced from PubChem (CID 86312017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).