2-(1-ethyl-6-fluoro-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol

C15H18FNO2 — CID 11357510

IUPAC2-(1-ethyl-6-fluoro-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol
SMILESCCC1(CCO)OCCc2c1[nH]c1ccc(F)cc21
InChIInChI=1S/C15H18FNO2/c1-2-15(6-7-18)14-11(5-8-19-15)12-9-10(16)3-4-13(12)17-14/h3-4,9,17-18H,2,5-8H2,1H3
InChIKeyWOPNRXULESXCCX-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.87
Rot. Bonds3

About 2-(1-ethyl-6-fluoro-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol

2-(1-ethyl-6-fluoro-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol (PubChem CID 11357510) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 2-(1-ethyl-6-fluoro-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol.

Molecular Properties

Compound Name2-(1-ethyl-6-fluoro-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol
PubChem CID11357510
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name2-(1-ethyl-6-fluoro-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol
SMILESCCC1(CCO)OCCc2c1[nH]c1ccc(F)cc21
InChIInChI=1S/C15H18FNO2/c1-2-15(6-7-18)14-11(5-8-19-15)12-9-10(16)3-4-13(12)17-14/h3-4,9,17-18H,2,5-8H2,1H3
InChIKeyWOPNRXULESXCCX-UHFFFAOYSA-N
XLogP2.87
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-6-fluoro-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol?
The IUPAC name of 2-(1-ethyl-6-fluoro-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol (CID 11357510) is 2-(1-ethyl-6-fluoro-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol.
What is the SMILES notation for 2-(1-ethyl-6-fluoro-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol?
The canonical SMILES for 2-(1-ethyl-6-fluoro-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol is CCC1(CCO)OCCc2c1[nH]c1ccc(F)cc21.
What is the InChIKey of 2-(1-ethyl-6-fluoro-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol?
The InChIKey is WOPNRXULESXCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-2-15(6-7-18)14-11(5-8-19-15)12-9-10(16)3-4-13(12)17-14/h3-4,9,17-18H,2,5-8H2,1H3.
What are the key properties of 2-(1-ethyl-6-fluoro-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol?
2-(1-ethyl-6-fluoro-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol has a molecular weight of 263.31 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-6-fluoro-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol is sourced from PubChem (CID 11357510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).