1-[4-(2,3-dihydroindol-1-yl)-3-fluorophenyl]ethanol

C16H16FNO — CID 43506012

IUPAC1-[4-(2,3-dihydroindol-1-yl)-3-fluorophenyl]ethanol
SMILESCC(O)c1ccc(N2CCc3ccccc32)c(F)c1
InChIInChI=1S/C16H16FNO/c1-11(19)13-6-7-16(14(17)10-13)18-9-8-12-4-2-3-5-15(12)18/h2-7,10-11,19H,8-9H2,1H3
InChIKeyALBBOAPLGDEXAG-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.57
Rot. Bonds2

About 1-[4-(2,3-dihydroindol-1-yl)-3-fluorophenyl]ethanol

1-[4-(2,3-dihydroindol-1-yl)-3-fluorophenyl]ethanol (PubChem CID 43506012) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 1-[4-(2,3-dihydroindol-1-yl)-3-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[4-(2,3-dihydroindol-1-yl)-3-fluorophenyl]ethanol
PubChem CID43506012
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name1-[4-(2,3-dihydroindol-1-yl)-3-fluorophenyl]ethanol
SMILESCC(O)c1ccc(N2CCc3ccccc32)c(F)c1
InChIInChI=1S/C16H16FNO/c1-11(19)13-6-7-16(14(17)10-13)18-9-8-12-4-2-3-5-15(12)18/h2-7,10-11,19H,8-9H2,1H3
InChIKeyALBBOAPLGDEXAG-UHFFFAOYSA-N
XLogP3.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanol
CID 103498394
(1S)-1-[3-chloro-4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanol
CID 78939334
N-[[4-(2,3-dihydroindol-1-yl)-3-fluorophenyl]methyl]propan-2-amine
CID 43281003
4-(2,3-dihydroindol-1-yl)-3-fluorobenzenecarbothioamide
CID 43657805
1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 43505896
(1S)-1-[4-(2,3-dimethylthiomorpholin-4-yl)-3-fluorophenyl]ethanol
CID 104874581
(1S)-1-[3-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine
CID 103496767
1-(3-fluoro-4-pyrazol-1-ylphenyl)ethanol
CID 43506232
(1S)-1-[4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanol
CID 103498434
1-[4-(3,4-dihydro-2H-quinolin-1-yl)-3-fluorophenyl]ethanone
CID 29275006
1-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperidin-4-ol
CID 43506027
2-(2,3-dihydroindol-1-yl)-5-fluoro-4-propan-2-yloxyaniline
CID 63591839

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dihydroindol-1-yl)-3-fluorophenyl]ethanol?
The IUPAC name of 1-[4-(2,3-dihydroindol-1-yl)-3-fluorophenyl]ethanol (CID 43506012) is 1-[4-(2,3-dihydroindol-1-yl)-3-fluorophenyl]ethanol.
What is the SMILES notation for 1-[4-(2,3-dihydroindol-1-yl)-3-fluorophenyl]ethanol?
The canonical SMILES for 1-[4-(2,3-dihydroindol-1-yl)-3-fluorophenyl]ethanol is CC(O)c1ccc(N2CCc3ccccc32)c(F)c1.
What is the InChIKey of 1-[4-(2,3-dihydroindol-1-yl)-3-fluorophenyl]ethanol?
The InChIKey is ALBBOAPLGDEXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c1-11(19)13-6-7-16(14(17)10-13)18-9-8-12-4-2-3-5-15(12)18/h2-7,10-11,19H,8-9H2,1H3.
What are the key properties of 1-[4-(2,3-dihydroindol-1-yl)-3-fluorophenyl]ethanol?
1-[4-(2,3-dihydroindol-1-yl)-3-fluorophenyl]ethanol has a molecular weight of 257.31 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dihydroindol-1-yl)-3-fluorophenyl]ethanol is sourced from PubChem (CID 43506012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).