(1S)-1-[2-fluoro-6-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanol

C17H18FNO — CID 78939271

IUPAC(1S)-1-[2-fluoro-6-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanol
SMILESCC1Cc2ccccc2N1c1cccc(F)c1[C@H](C)O
InChIInChI=1S/C17H18FNO/c1-11-10-13-6-3-4-8-15(13)19(11)16-9-5-7-14(18)17(16)12(2)20/h3-9,11-12,20H,10H2,1-2H3/t11?,12-/m0/s1
InChIKeyKGDIIIHJPWCQDD-KIYNQFGBSA-N
MW271.34 g/mol
LogP3.96
Rot. Bonds2

About (1S)-1-[2-fluoro-6-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanol

(1S)-1-[2-fluoro-6-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanol (PubChem CID 78939271) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is (1S)-1-[2-fluoro-6-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-fluoro-6-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanol
PubChem CID78939271
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name(1S)-1-[2-fluoro-6-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanol
SMILESCC1Cc2ccccc2N1c1cccc(F)c1[C@H](C)O
InChIInChI=1S/C17H18FNO/c1-11-10-13-6-3-4-8-15(13)19(11)16-9-5-7-14(18)17(16)12(2)20/h3-9,11-12,20H,10H2,1-2H3/t11?,12-/m0/s1
InChIKeyKGDIIIHJPWCQDD-KIYNQFGBSA-N
XLogP3.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanol
CID 43510148
2-fluoro-6-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
CID 55387468
1-[2-fluoro-6-(2-methylpyrrolidin-1-yl)phenyl]ethanol
CID 60974750
(1S)-1-[2-fluoro-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
CID 78930955
1-[2-fluoro-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
CID 43101076
(1R)-1-[2-(2,4-dimethylpiperazin-1-yl)-6-fluorophenyl]ethanol
CID 114087415
(1R)-1-[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 63371574
(1R)-1-(2-fluoro-6-pyrrolidin-1-ylphenyl)ethanol
CID 63371551
(1R)-1-[2-(2,5-dimethylmorpholin-4-yl)-6-fluorophenyl]ethanol
CID 55185193
(1R)-1-[3-bromo-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanol
CID 63541257
(1R)-1-[2-(azocan-1-yl)-6-fluorophenyl]ethanol
CID 55183727
(1S)-1-[2-(azocan-1-yl)-6-fluorophenyl]ethanol
CID 78939415

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-fluoro-6-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanol?
The IUPAC name of (1S)-1-[2-fluoro-6-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanol (CID 78939271) is (1S)-1-[2-fluoro-6-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-fluoro-6-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-fluoro-6-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanol is CC1Cc2ccccc2N1c1cccc(F)c1[C@H](C)O.
What is the InChIKey of (1S)-1-[2-fluoro-6-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanol?
The InChIKey is KGDIIIHJPWCQDD-KIYNQFGBSA-N. The full InChI is InChI=1S/C17H18FNO/c1-11-10-13-6-3-4-8-15(13)19(11)16-9-5-7-14(18)17(16)12(2)20/h3-9,11-12,20H,10H2,1-2H3/t11?,12-/m0/s1.
What are the key properties of (1S)-1-[2-fluoro-6-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanol?
(1S)-1-[2-fluoro-6-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanol has a molecular weight of 271.34 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-fluoro-6-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanol is sourced from PubChem (CID 78939271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).