2-(1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol

C15H19NO2 — CID 59639732

IUPAC2-(1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol
SMILESCCC1(CCO)OCCc2c1[nH]c1ccccc21
InChIInChI=1S/C15H19NO2/c1-2-15(8-9-17)14-12(7-10-18-15)11-5-3-4-6-13(11)16-14/h3-6,16-17H,2,7-10H2,1H3
InChIKeyZMUOMKZIKOZXEJ-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.73
Rot. Bonds3

About 2-(1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol

2-(1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol (PubChem CID 59639732) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-(1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol.

Molecular Properties

Compound Name2-(1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol
PubChem CID59639732
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-(1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol
SMILESCCC1(CCO)OCCc2c1[nH]c1ccccc21
InChIInChI=1S/C15H19NO2/c1-2-15(8-9-17)14-12(7-10-18-15)11-5-3-4-6-13(11)16-14/h3-6,16-17H,2,7-10H2,1H3
InChIKeyZMUOMKZIKOZXEJ-UHFFFAOYSA-N
XLogP2.73
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol?
The IUPAC name of 2-(1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol (CID 59639732) is 2-(1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol.
What is the SMILES notation for 2-(1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol?
The canonical SMILES for 2-(1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol is CCC1(CCO)OCCc2c1[nH]c1ccccc21.
What is the InChIKey of 2-(1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol?
The InChIKey is ZMUOMKZIKOZXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-15(8-9-17)14-12(7-10-18-15)11-5-3-4-6-13(11)16-14/h3-6,16-17H,2,7-10H2,1H3.
What are the key properties of 2-(1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol?
2-(1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol has a molecular weight of 245.32 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol is sourced from PubChem (CID 59639732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).