(1R,2R)-1-(furan-2-yl)-2-methylpropane-1,3-diol

C8H12O3 — CID 11957999

IUPAC(1R,2R)-1-(furan-2-yl)-2-methylpropane-1,3-diol
SMILESC[C@H](CO)[C@@H](O)c1ccco1
InChIInChI=1S/C8H12O3/c1-6(5-9)8(10)7-3-2-4-11-7/h2-4,6,8-10H,5H2,1H3/t6-,8-/m1/s1
InChIKeyCLGSHDWHQHEAIC-HTRCEHHLSA-N
MW156.18 g/mol
LogP0.94
Rot. Bonds3

About (1R,2R)-1-(furan-2-yl)-2-methylpropane-1,3-diol

(1R,2R)-1-(furan-2-yl)-2-methylpropane-1,3-diol (PubChem CID 11957999) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (1R,2R)-1-(furan-2-yl)-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name(1R,2R)-1-(furan-2-yl)-2-methylpropane-1,3-diol
PubChem CID11957999
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(1R,2R)-1-(furan-2-yl)-2-methylpropane-1,3-diol
SMILESC[C@H](CO)[C@@H](O)c1ccco1
InChIInChI=1S/C8H12O3/c1-6(5-9)8(10)7-3-2-4-11-7/h2-4,6,8-10H,5H2,1H3/t6-,8-/m1/s1
InChIKeyCLGSHDWHQHEAIC-HTRCEHHLSA-N
XLogP0.94
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-(furan-2-yl)-2-methylpropane-1,3-diol?
The IUPAC name of (1R,2R)-1-(furan-2-yl)-2-methylpropane-1,3-diol (CID 11957999) is (1R,2R)-1-(furan-2-yl)-2-methylpropane-1,3-diol.
What is the SMILES notation for (1R,2R)-1-(furan-2-yl)-2-methylpropane-1,3-diol?
The canonical SMILES for (1R,2R)-1-(furan-2-yl)-2-methylpropane-1,3-diol is C[C@H](CO)[C@@H](O)c1ccco1.
What is the InChIKey of (1R,2R)-1-(furan-2-yl)-2-methylpropane-1,3-diol?
The InChIKey is CLGSHDWHQHEAIC-HTRCEHHLSA-N. The full InChI is InChI=1S/C8H12O3/c1-6(5-9)8(10)7-3-2-4-11-7/h2-4,6,8-10H,5H2,1H3/t6-,8-/m1/s1.
What are the key properties of (1R,2R)-1-(furan-2-yl)-2-methylpropane-1,3-diol?
(1R,2R)-1-(furan-2-yl)-2-methylpropane-1,3-diol has a molecular weight of 156.18 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-(furan-2-yl)-2-methylpropane-1,3-diol is sourced from PubChem (CID 11957999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).