2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)ethanol

C19H20FNO2 — CID 58303962

IUPAC2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)ethanol
SMILESCCn1cc(CCO)c2c(OCc3ccccc3)cc(F)cc21
InChIInChI=1S/C19H20FNO2/c1-2-21-12-15(8-9-22)19-17(21)10-16(20)11-18(19)23-13-14-6-4-3-5-7-14/h3-7,10-12,22H,2,8-9,13H2,1H3
InChIKeyIBENOFNXPHEXKK-UHFFFAOYSA-N
MW313.37 g/mol
LogP3.91
Rot. Bonds6

About 2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)ethanol

2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)ethanol (PubChem CID 58303962) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is 2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)ethanol.

Molecular Properties

Compound Name2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)ethanol
PubChem CID58303962
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)ethanol
SMILESCCn1cc(CCO)c2c(OCc3ccccc3)cc(F)cc21
InChIInChI=1S/C19H20FNO2/c1-2-21-12-15(8-9-22)19-17(21)10-16(20)11-18(19)23-13-14-6-4-3-5-7-14/h3-7,10-12,22H,2,8-9,13H2,1H3
InChIKeyIBENOFNXPHEXKK-UHFFFAOYSA-N
XLogP3.91
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)ethanol?
The IUPAC name of 2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)ethanol (CID 58303962) is 2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)ethanol.
What is the SMILES notation for 2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)ethanol?
The canonical SMILES for 2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)ethanol is CCn1cc(CCO)c2c(OCc3ccccc3)cc(F)cc21.
What is the InChIKey of 2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)ethanol?
The InChIKey is IBENOFNXPHEXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-2-21-12-15(8-9-22)19-17(21)10-16(20)11-18(19)23-13-14-6-4-3-5-7-14/h3-7,10-12,22H,2,8-9,13H2,1H3.
What are the key properties of 2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)ethanol?
2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)ethanol has a molecular weight of 313.37 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)ethanol is sourced from PubChem (CID 58303962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).