2-(furan-2-yl)ethane-1,1-diol

C6H8O3 — CID 156698008

IUPAC2-(furan-2-yl)ethane-1,1-diol
SMILESOC(O)Cc1ccco1
InChIInChI=1S/C6H8O3/c7-6(8)4-5-2-1-3-9-5/h1-3,6-8H,4H2
InChIKeyWLTDLGBPNCKMBD-UHFFFAOYSA-N
MW128.13 g/mol
LogP0.13
Rot. Bonds2

About 2-(furan-2-yl)ethane-1,1-diol

2-(furan-2-yl)ethane-1,1-diol (PubChem CID 156698008) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is 2-(furan-2-yl)ethane-1,1-diol.

Molecular Properties

Compound Name2-(furan-2-yl)ethane-1,1-diol
PubChem CID156698008
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name2-(furan-2-yl)ethane-1,1-diol
SMILESOC(O)Cc1ccco1
InChIInChI=1S/C6H8O3/c7-6(8)4-5-2-1-3-9-5/h1-3,6-8H,4H2
InChIKeyWLTDLGBPNCKMBD-UHFFFAOYSA-N
XLogP0.13
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 83171633
2-(2-ethylbutyl)furan
CID 68844643
3-(furan-2-ylmethyl)pentane-2,4-dione
CID 101387929
methyl (2S)-3-(furan-2-yl)-2-hydroxypropanoate
CID 15638338
2-(furan-2-yl)-1-(4-phenylphenyl)ethanol
CID 83172274
1-(2,6-difluorophenyl)-3-(furan-2-yl)propan-2-ol
CID 115830159
furan-2-ylmethanol;propane-1,2,3-triol
CID 90073658
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
2-(furan-2-yl)-1-(1-methylcyclopentyl)ethanol
CID 115830206
1-(furan-2-yl)-3-methyl-3-phenylbutan-2-ol
CID 83172363
(2S)-2-(azaniumylmethyl)-3-(furan-2-yl)propanoate
CID 42329415

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)ethane-1,1-diol?
The IUPAC name of 2-(furan-2-yl)ethane-1,1-diol (CID 156698008) is 2-(furan-2-yl)ethane-1,1-diol.
What is the SMILES notation for 2-(furan-2-yl)ethane-1,1-diol?
The canonical SMILES for 2-(furan-2-yl)ethane-1,1-diol is OC(O)Cc1ccco1.
What is the InChIKey of 2-(furan-2-yl)ethane-1,1-diol?
The InChIKey is WLTDLGBPNCKMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3/c7-6(8)4-5-2-1-3-9-5/h1-3,6-8H,4H2.
What are the key properties of 2-(furan-2-yl)ethane-1,1-diol?
2-(furan-2-yl)ethane-1,1-diol has a molecular weight of 128.13 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)ethane-1,1-diol is sourced from PubChem (CID 156698008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).