2,4-dimethyl-3a-phenyl-1,4,5,5a,6,7,8,9a-octahydrofuro[3,2-e]indolizin-2-ol

C18H25NO2 — CID 587886

IUPAC2,4-dimethyl-3a-phenyl-1,4,5,5a,6,7,8,9a-octahydrofuro[3,2-e]indolizin-2-ol
SMILESCC1CC2CCCN2C2CC(C)(O)OC12c1ccccc1
InChIInChI=1S/C18H25NO2/c1-13-11-15-9-6-10-19(15)16-12-17(2,20)21-18(13,16)14-7-4-3-5-8-14/h3-5,7-8,13,15-16,20H,6,9-12H2,1-2H3
InChIKeyXUUVBLNLKQHRLZ-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.88
Rot. Bonds1

About 2,4-dimethyl-3a-phenyl-1,4,5,5a,6,7,8,9a-octahydrofuro[3,2-e]indolizin-2-ol

2,4-dimethyl-3a-phenyl-1,4,5,5a,6,7,8,9a-octahydrofuro[3,2-e]indolizin-2-ol (PubChem CID 587886) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2,4-dimethyl-3a-phenyl-1,4,5,5a,6,7,8,9a-octahydrofuro[3,2-e]indolizin-2-ol.

Molecular Properties

Compound Name2,4-dimethyl-3a-phenyl-1,4,5,5a,6,7,8,9a-octahydrofuro[3,2-e]indolizin-2-ol
PubChem CID587886
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name2,4-dimethyl-3a-phenyl-1,4,5,5a,6,7,8,9a-octahydrofuro[3,2-e]indolizin-2-ol
SMILESCC1CC2CCCN2C2CC(C)(O)OC12c1ccccc1
InChIInChI=1S/C18H25NO2/c1-13-11-15-9-6-10-19(15)16-12-17(2,20)21-18(13,16)14-7-4-3-5-8-14/h3-5,7-8,13,15-16,20H,6,9-12H2,1-2H3
InChIKeyXUUVBLNLKQHRLZ-UHFFFAOYSA-N
XLogP2.88
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3a-phenyl-1,4,5,5a,6,7,8,9a-octahydrofuro[3,2-e]indolizin-2-ol?
The IUPAC name of 2,4-dimethyl-3a-phenyl-1,4,5,5a,6,7,8,9a-octahydrofuro[3,2-e]indolizin-2-ol (CID 587886) is 2,4-dimethyl-3a-phenyl-1,4,5,5a,6,7,8,9a-octahydrofuro[3,2-e]indolizin-2-ol.
What is the SMILES notation for 2,4-dimethyl-3a-phenyl-1,4,5,5a,6,7,8,9a-octahydrofuro[3,2-e]indolizin-2-ol?
The canonical SMILES for 2,4-dimethyl-3a-phenyl-1,4,5,5a,6,7,8,9a-octahydrofuro[3,2-e]indolizin-2-ol is CC1CC2CCCN2C2CC(C)(O)OC12c1ccccc1.
What is the InChIKey of 2,4-dimethyl-3a-phenyl-1,4,5,5a,6,7,8,9a-octahydrofuro[3,2-e]indolizin-2-ol?
The InChIKey is XUUVBLNLKQHRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-13-11-15-9-6-10-19(15)16-12-17(2,20)21-18(13,16)14-7-4-3-5-8-14/h3-5,7-8,13,15-16,20H,6,9-12H2,1-2H3.
What are the key properties of 2,4-dimethyl-3a-phenyl-1,4,5,5a,6,7,8,9a-octahydrofuro[3,2-e]indolizin-2-ol?
2,4-dimethyl-3a-phenyl-1,4,5,5a,6,7,8,9a-octahydrofuro[3,2-e]indolizin-2-ol has a molecular weight of 287.40 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3a-phenyl-1,4,5,5a,6,7,8,9a-octahydrofuro[3,2-e]indolizin-2-ol is sourced from PubChem (CID 587886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).