trans-(1S,2R)-3-(furan-3-yl)-2-(2-hydroxyethyl)-2-methylcyclopentan-1-ol

C12H18O3 — CID 102157021

IUPACtrans-(1S,2R)-3-(furan-3-yl)-2-(2-hydroxyethyl)-2-methylcyclopentan-1-ol
SMILESC[C@@]1(CCO)C(c2ccoc2)CC[C@@H]1O
InChIInChI=1S/C12H18O3/c1-12(5-6-13)10(2-3-11(12)14)9-4-7-15-8-9/h4,7-8,10-11,13-14H,2-3,5-6H2,1H3/t10?,11-,12+/m0/s1
InChIKeyMVNJYKYGDPIYBF-GLXQMMQGSA-N
MW210.27 g/mol
LogP1.91
Rot. Bonds3

About trans-(1S,2R)-3-(furan-3-yl)-2-(2-hydroxyethyl)-2-methylcyclopentan-1-ol

trans-(1S,2R)-3-(furan-3-yl)-2-(2-hydroxyethyl)-2-methylcyclopentan-1-ol (PubChem CID 102157021) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is trans-(1S,2R)-3-(furan-3-yl)-2-(2-hydroxyethyl)-2-methylcyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2R)-3-(furan-3-yl)-2-(2-hydroxyethyl)-2-methylcyclopentan-1-ol
PubChem CID102157021
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Nametrans-(1S,2R)-3-(furan-3-yl)-2-(2-hydroxyethyl)-2-methylcyclopentan-1-ol
SMILESC[C@@]1(CCO)C(c2ccoc2)CC[C@@H]1O
InChIInChI=1S/C12H18O3/c1-12(5-6-13)10(2-3-11(12)14)9-4-7-15-8-9/h4,7-8,10-11,13-14H,2-3,5-6H2,1H3/t10?,11-,12+/m0/s1
InChIKeyMVNJYKYGDPIYBF-GLXQMMQGSA-N
XLogP1.91
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-3-(furan-3-yl)-2-(2-hydroxyethyl)-2-methylcyclopentan-1-ol?
The IUPAC name of trans-(1S,2R)-3-(furan-3-yl)-2-(2-hydroxyethyl)-2-methylcyclopentan-1-ol (CID 102157021) is trans-(1S,2R)-3-(furan-3-yl)-2-(2-hydroxyethyl)-2-methylcyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2R)-3-(furan-3-yl)-2-(2-hydroxyethyl)-2-methylcyclopentan-1-ol?
The canonical SMILES for trans-(1S,2R)-3-(furan-3-yl)-2-(2-hydroxyethyl)-2-methylcyclopentan-1-ol is C[C@@]1(CCO)C(c2ccoc2)CC[C@@H]1O.
What is the InChIKey of trans-(1S,2R)-3-(furan-3-yl)-2-(2-hydroxyethyl)-2-methylcyclopentan-1-ol?
The InChIKey is MVNJYKYGDPIYBF-GLXQMMQGSA-N. The full InChI is InChI=1S/C12H18O3/c1-12(5-6-13)10(2-3-11(12)14)9-4-7-15-8-9/h4,7-8,10-11,13-14H,2-3,5-6H2,1H3/t10?,11-,12+/m0/s1.
What are the key properties of trans-(1S,2R)-3-(furan-3-yl)-2-(2-hydroxyethyl)-2-methylcyclopentan-1-ol?
trans-(1S,2R)-3-(furan-3-yl)-2-(2-hydroxyethyl)-2-methylcyclopentan-1-ol has a molecular weight of 210.27 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-3-(furan-3-yl)-2-(2-hydroxyethyl)-2-methylcyclopentan-1-ol is sourced from PubChem (CID 102157021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).