2-(1-Hydroxyethyl)-2,3,5-trimethoxy-2,5-dihydrofuran

C9H16O5 — CID 20348360

IUPAC1-(2,4,5-trimethoxy-2H-furan-5-yl)ethanol
SMILESCC(C1(C(=CC(O1)OC)OC)OC)O
InChIInChI=1S/C9H16O5/c1-6(10)9(13-4)7(11-2)5-8(12-3)14-9/h5-6,8,10H,1-4H3
InChIKeyNDPORQIUDGZDFC-UHFFFAOYSA-N
MW204.22 g/mol
LogP-0.50
Rot. Bonds4

About 2-(1-Hydroxyethyl)-2,3,5-trimethoxy-2,5-dihydrofuran

2-(1-Hydroxyethyl)-2,3,5-trimethoxy-2,5-dihydrofuran (PubChem CID 20348360) has the molecular formula C9H16O5 and a molecular weight of 204.22 g/mol. Its IUPAC name is 1-(2,4,5-trimethoxy-2H-furan-5-yl)ethanol.

Molecular Properties

Compound Name2-(1-Hydroxyethyl)-2,3,5-trimethoxy-2,5-dihydrofuran
PubChem CID20348360
Molecular FormulaC9H16O5
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Name1-(2,4,5-trimethoxy-2H-furan-5-yl)ethanol
SMILESCC(C1(C(=CC(O1)OC)OC)OC)O
InChIInChI=1S/C9H16O5/c1-6(10)9(13-4)7(11-2)5-8(12-3)14-9/h5-6,8,10H,1-4H3
InChIKeyNDPORQIUDGZDFC-UHFFFAOYSA-N
XLogP-0.50
TPSA57.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity227

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(hydroxymethyl)-6-[(1S)-1-hydroxypropyl]-4-methoxy-2H-pyran-2-ol
CID 44566908
ethyl 2,3-dideoxy-D-hex-2-enopyranoside
CID 97305
6-Ethoxy-3,6-dihydro-3-hydroxy-2H-pyran-2-methanol
CID 271273
1-(2,5-Dimethoxy-2,5-dihydrofuran-2-yl)ethanol
CID 2733895
2H-Pyran-2-methanol, 3,6-dihydro-3-hydroxy-6-(1-methylethoxy)-
CID 546113
[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methanol
CID 11788550
Isopropylidene-alpha-d-xylofuranose
CID 129881709
Pentenyl-1,3-dioxolane-4-methanol, (E)-
CID 69669515
[2-(Pent-1-en-1-yl)-1,3-dioxolan-4-yl]methanol
CID 69669516
1-(2,5-dimethoxy-2H-furan-5-yl)propan-1-ol
CID 332603
(2R,3R,6R)-2-methyl-3,6-dihydro-2H-pyran-3,4,6-triol
CID 138753617
n-Butyl 4-deoxy-beta-d-threo-hex-4-ene pyranosid
CID 129827843

Frequently Asked Questions

What is the IUPAC name of 2-(1-Hydroxyethyl)-2,3,5-trimethoxy-2,5-dihydrofuran?
The IUPAC name of 2-(1-Hydroxyethyl)-2,3,5-trimethoxy-2,5-dihydrofuran (CID 20348360) is 1-(2,4,5-trimethoxy-2H-furan-5-yl)ethanol.
What is the SMILES notation for 2-(1-Hydroxyethyl)-2,3,5-trimethoxy-2,5-dihydrofuran?
The canonical SMILES for 2-(1-Hydroxyethyl)-2,3,5-trimethoxy-2,5-dihydrofuran is CC(C1(C(=CC(O1)OC)OC)OC)O.
What is the InChIKey of 2-(1-Hydroxyethyl)-2,3,5-trimethoxy-2,5-dihydrofuran?
The InChIKey is NDPORQIUDGZDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O5/c1-6(10)9(13-4)7(11-2)5-8(12-3)14-9/h5-6,8,10H,1-4H3.
What are the key properties of 2-(1-Hydroxyethyl)-2,3,5-trimethoxy-2,5-dihydrofuran?
2-(1-Hydroxyethyl)-2,3,5-trimethoxy-2,5-dihydrofuran has a molecular weight of 204.22 g/mol, XLogP of -0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-Hydroxyethyl)-2,3,5-trimethoxy-2,5-dihydrofuran is sourced from PubChem (CID 20348360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).