4-(1H-indol-5-yl)-2-propyloxan-4-ol

C16H21NO2 — CID 81445173

IUPAC4-(1H-indol-5-yl)-2-propyloxan-4-ol
SMILESCCCC1CC(O)(c2ccc3[nH]ccc3c2)CCO1
InChIInChI=1S/C16H21NO2/c1-2-3-14-11-16(18,7-9-19-14)13-4-5-15-12(10-13)6-8-17-15/h4-6,8,10,14,17-18H,2-3,7,9,11H2,1H3
InChIKeyDKPCOLUNGGSWKZ-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.33
Rot. Bonds3

About 4-(1H-indol-5-yl)-2-propyloxan-4-ol

4-(1H-indol-5-yl)-2-propyloxan-4-ol (PubChem CID 81445173) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-(1H-indol-5-yl)-2-propyloxan-4-ol.

Molecular Properties

Compound Name4-(1H-indol-5-yl)-2-propyloxan-4-ol
PubChem CID81445173
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name4-(1H-indol-5-yl)-2-propyloxan-4-ol
SMILESCCCC1CC(O)(c2ccc3[nH]ccc3c2)CCO1
InChIInChI=1S/C16H21NO2/c1-2-3-14-11-16(18,7-9-19-14)13-4-5-15-12(10-13)6-8-17-15/h4-6,8,10,14,17-18H,2-3,7,9,11H2,1H3
InChIKeyDKPCOLUNGGSWKZ-UHFFFAOYSA-N
XLogP3.33
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-5-yl)-2-propyloxan-4-ol?
The IUPAC name of 4-(1H-indol-5-yl)-2-propyloxan-4-ol (CID 81445173) is 4-(1H-indol-5-yl)-2-propyloxan-4-ol.
What is the SMILES notation for 4-(1H-indol-5-yl)-2-propyloxan-4-ol?
The canonical SMILES for 4-(1H-indol-5-yl)-2-propyloxan-4-ol is CCCC1CC(O)(c2ccc3[nH]ccc3c2)CCO1.
What is the InChIKey of 4-(1H-indol-5-yl)-2-propyloxan-4-ol?
The InChIKey is DKPCOLUNGGSWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-2-3-14-11-16(18,7-9-19-14)13-4-5-15-12(10-13)6-8-17-15/h4-6,8,10,14,17-18H,2-3,7,9,11H2,1H3.
What are the key properties of 4-(1H-indol-5-yl)-2-propyloxan-4-ol?
4-(1H-indol-5-yl)-2-propyloxan-4-ol has a molecular weight of 259.35 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-5-yl)-2-propyloxan-4-ol is sourced from PubChem (CID 81445173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).