(1R)-1-(furan-2-yl)-1-[(1R,6S)-7-oxabicyclo[4.1.0]heptan-1-yl]ethanol

C12H16O3 — CID 14958099

IUPAC(1R)-1-(furan-2-yl)-1-[(1R,6S)-7-oxabicyclo[4.1.0]heptan-1-yl]ethanol
SMILESC[C@@](O)(c1ccco1)[C@@]12CCCC[C@@H]1O2
InChIInChI=1S/C12H16O3/c1-11(13,9-6-4-8-14-9)12-7-3-2-5-10(12)15-12/h4,6,8,10,13H,2-3,5,7H2,1H3/t10-,11+,12+/m0/s1
InChIKeyBLMXQJFUVGIYSQ-QJPTWQEYSA-N
MW208.26 g/mol
LogP2.20
Rot. Bonds2

About (1R)-1-(furan-2-yl)-1-[(1R,6S)-7-oxabicyclo[4.1.0]heptan-1-yl]ethanol

(1R)-1-(furan-2-yl)-1-[(1R,6S)-7-oxabicyclo[4.1.0]heptan-1-yl]ethanol (PubChem CID 14958099) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is (1R)-1-(furan-2-yl)-1-[(1R,6S)-7-oxabicyclo[4.1.0]heptan-1-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-(furan-2-yl)-1-[(1R,6S)-7-oxabicyclo[4.1.0]heptan-1-yl]ethanol
PubChem CID14958099
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name(1R)-1-(furan-2-yl)-1-[(1R,6S)-7-oxabicyclo[4.1.0]heptan-1-yl]ethanol
SMILESC[C@@](O)(c1ccco1)[C@@]12CCCC[C@@H]1O2
InChIInChI=1S/C12H16O3/c1-11(13,9-6-4-8-14-9)12-7-3-2-5-10(12)15-12/h4,6,8,10,13H,2-3,5,7H2,1H3/t10-,11+,12+/m0/s1
InChIKeyBLMXQJFUVGIYSQ-QJPTWQEYSA-N
XLogP2.20
TPSA45.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(furan-2-yl)-1-[(1R,6S)-7-oxabicyclo[4.1.0]heptan-1-yl]ethanol?
The IUPAC name of (1R)-1-(furan-2-yl)-1-[(1R,6S)-7-oxabicyclo[4.1.0]heptan-1-yl]ethanol (CID 14958099) is (1R)-1-(furan-2-yl)-1-[(1R,6S)-7-oxabicyclo[4.1.0]heptan-1-yl]ethanol.
What is the SMILES notation for (1R)-1-(furan-2-yl)-1-[(1R,6S)-7-oxabicyclo[4.1.0]heptan-1-yl]ethanol?
The canonical SMILES for (1R)-1-(furan-2-yl)-1-[(1R,6S)-7-oxabicyclo[4.1.0]heptan-1-yl]ethanol is C[C@@](O)(c1ccco1)[C@@]12CCCC[C@@H]1O2.
What is the InChIKey of (1R)-1-(furan-2-yl)-1-[(1R,6S)-7-oxabicyclo[4.1.0]heptan-1-yl]ethanol?
The InChIKey is BLMXQJFUVGIYSQ-QJPTWQEYSA-N. The full InChI is InChI=1S/C12H16O3/c1-11(13,9-6-4-8-14-9)12-7-3-2-5-10(12)15-12/h4,6,8,10,13H,2-3,5,7H2,1H3/t10-,11+,12+/m0/s1.
What are the key properties of (1R)-1-(furan-2-yl)-1-[(1R,6S)-7-oxabicyclo[4.1.0]heptan-1-yl]ethanol?
(1R)-1-(furan-2-yl)-1-[(1R,6S)-7-oxabicyclo[4.1.0]heptan-1-yl]ethanol has a molecular weight of 208.26 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(furan-2-yl)-1-[(1R,6S)-7-oxabicyclo[4.1.0]heptan-1-yl]ethanol is sourced from PubChem (CID 14958099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).