1-(4-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol

C15H21NO — CID 658259

IUPAC1-(4-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
SMILESCc1ccc(C2(O)CCN3CCCCC32)cc1
InChIInChI=1S/C15H21NO/c1-12-5-7-13(8-6-12)15(17)9-11-16-10-3-2-4-14(15)16/h5-8,14,17H,2-4,9-11H2,1H3
InChIKeyGMAVNMHUPHMOCL-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.44
Rot. Bonds1

About 1-(4-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol

1-(4-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol (PubChem CID 658259) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol.

Molecular Properties

Compound Name1-(4-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
PubChem CID658259
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(4-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
SMILESCc1ccc(C2(O)CCN3CCCCC32)cc1
InChIInChI=1S/C15H21NO/c1-12-5-7-13(8-6-12)15(17)9-11-16-10-3-2-4-14(15)16/h5-8,14,17H,2-4,9-11H2,1H3
InChIKeyGMAVNMHUPHMOCL-UHFFFAOYSA-N
XLogP2.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol?
The IUPAC name of 1-(4-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol (CID 658259) is 1-(4-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol.
What is the SMILES notation for 1-(4-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol?
The canonical SMILES for 1-(4-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol is Cc1ccc(C2(O)CCN3CCCCC32)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol?
The InChIKey is GMAVNMHUPHMOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12-5-7-13(8-6-12)15(17)9-11-16-10-3-2-4-14(15)16/h5-8,14,17H,2-4,9-11H2,1H3.
What are the key properties of 1-(4-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol?
1-(4-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol has a molecular weight of 231.34 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol is sourced from PubChem (CID 658259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).