[(2S,5R)-5-(5-phenylindol-1-yl)oxolan-2-yl]methanol

C19H19NO2 — CID 11857458

IUPAC[(2S,5R)-5-(5-phenylindol-1-yl)oxolan-2-yl]methanol
SMILESOC[C@@H]1CC[C@H](n2ccc3cc(-c4ccccc4)ccc32)O1
InChIInChI=1S/C19H19NO2/c21-13-17-7-9-19(22-17)20-11-10-16-12-15(6-8-18(16)20)14-4-2-1-3-5-14/h1-6,8,10-12,17,19,21H,7,9,13H2/t17-,19+/m0/s1
InChIKeyQNAJLPPLJMAQKU-PKOBYXMFSA-N
MW293.37 g/mol
LogP3.98
Rot. Bonds3

About [(2S,5R)-5-(5-phenylindol-1-yl)oxolan-2-yl]methanol

[(2S,5R)-5-(5-phenylindol-1-yl)oxolan-2-yl]methanol (PubChem CID 11857458) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is [(2S,5R)-5-(5-phenylindol-1-yl)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5R)-5-(5-phenylindol-1-yl)oxolan-2-yl]methanol
PubChem CID11857458
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name[(2S,5R)-5-(5-phenylindol-1-yl)oxolan-2-yl]methanol
SMILESOC[C@@H]1CC[C@H](n2ccc3cc(-c4ccccc4)ccc32)O1
InChIInChI=1S/C19H19NO2/c21-13-17-7-9-19(22-17)20-11-10-16-12-15(6-8-18(16)20)14-4-2-1-3-5-14/h1-6,8,10-12,17,19,21H,7,9,13H2/t17-,19+/m0/s1
InChIKeyQNAJLPPLJMAQKU-PKOBYXMFSA-N
XLogP3.98
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(5-phenylindol-1-yl)oxolan-2-yl]methanol?
The IUPAC name of [(2S,5R)-5-(5-phenylindol-1-yl)oxolan-2-yl]methanol (CID 11857458) is [(2S,5R)-5-(5-phenylindol-1-yl)oxolan-2-yl]methanol.
What is the SMILES notation for [(2S,5R)-5-(5-phenylindol-1-yl)oxolan-2-yl]methanol?
The canonical SMILES for [(2S,5R)-5-(5-phenylindol-1-yl)oxolan-2-yl]methanol is OC[C@@H]1CC[C@H](n2ccc3cc(-c4ccccc4)ccc32)O1.
What is the InChIKey of [(2S,5R)-5-(5-phenylindol-1-yl)oxolan-2-yl]methanol?
The InChIKey is QNAJLPPLJMAQKU-PKOBYXMFSA-N. The full InChI is InChI=1S/C19H19NO2/c21-13-17-7-9-19(22-17)20-11-10-16-12-15(6-8-18(16)20)14-4-2-1-3-5-14/h1-6,8,10-12,17,19,21H,7,9,13H2/t17-,19+/m0/s1.
What are the key properties of [(2S,5R)-5-(5-phenylindol-1-yl)oxolan-2-yl]methanol?
[(2S,5R)-5-(5-phenylindol-1-yl)oxolan-2-yl]methanol has a molecular weight of 293.37 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(5-phenylindol-1-yl)oxolan-2-yl]methanol is sourced from PubChem (CID 11857458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).