(1S)-1-[6-fluoro-2-[(1S)-1-hydroxyethyl]-1H-indol-3-yl]ethanol

C12H14FNO2 — CID 24818826

IUPAC(1S)-1-[6-fluoro-2-[(1S)-1-hydroxyethyl]-1H-indol-3-yl]ethanol
SMILESC[C@H](O)c1[nH]c2cc(F)ccc2c1[C@H](C)O
InChIInChI=1S/C12H14FNO2/c1-6(15)11-9-4-3-8(13)5-10(9)14-12(11)7(2)16/h3-7,14-16H,1-2H3/t6-,7-/m0/s1
InChIKeyTTZSBJPIANWFNC-BQBZGAKWSA-N
MW223.25 g/mol
LogP2.41
Rot. Bonds2

About (1S)-1-[6-fluoro-2-[(1S)-1-hydroxyethyl]-1H-indol-3-yl]ethanol

(1S)-1-[6-fluoro-2-[(1S)-1-hydroxyethyl]-1H-indol-3-yl]ethanol (PubChem CID 24818826) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is (1S)-1-[6-fluoro-2-[(1S)-1-hydroxyethyl]-1H-indol-3-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[6-fluoro-2-[(1S)-1-hydroxyethyl]-1H-indol-3-yl]ethanol
PubChem CID24818826
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name(1S)-1-[6-fluoro-2-[(1S)-1-hydroxyethyl]-1H-indol-3-yl]ethanol
SMILESC[C@H](O)c1[nH]c2cc(F)ccc2c1[C@H](C)O
InChIInChI=1S/C12H14FNO2/c1-6(15)11-9-4-3-8(13)5-10(9)14-12(11)7(2)16/h3-7,14-16H,1-2H3/t6-,7-/m0/s1
InChIKeyTTZSBJPIANWFNC-BQBZGAKWSA-N
XLogP2.41
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

Indole-3-Carbinol
CID 3712
Pyridindolol
CID 5358591
2,3,4,9-tetrahydro-1H-carbazol-3-ol
CID 11571928
(6-bromo-1H-indol-2-yl)methanol
CID 13567957
(1H-indol-2-yl)methanol
CID 98783
1-(1H-indol-3-yl)ethane-1,2-diol
CID 25202910
3-(2-methyl-1H-indol-3-yl)propan-1-ol
CID 336484
1H-Indole, 3-(2-hydroxyethyl)-2-phenyl-
CID 609959
1H-Indole-3-ethanol, 2-methyl-
CID 659192
1,3-Dihydro-3-(((2-hydroxyethyl)amino)methylene)-2H-indol-2-one
CID 2034851
Indole-3-methanol, alpha-(2-(dimethylamino)ethyl)-
CID 58240
1-(2-methyl-1H-indol-3-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol
CID 659336

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[6-fluoro-2-[(1S)-1-hydroxyethyl]-1H-indol-3-yl]ethanol?
The IUPAC name of (1S)-1-[6-fluoro-2-[(1S)-1-hydroxyethyl]-1H-indol-3-yl]ethanol (CID 24818826) is (1S)-1-[6-fluoro-2-[(1S)-1-hydroxyethyl]-1H-indol-3-yl]ethanol.
What is the SMILES notation for (1S)-1-[6-fluoro-2-[(1S)-1-hydroxyethyl]-1H-indol-3-yl]ethanol?
The canonical SMILES for (1S)-1-[6-fluoro-2-[(1S)-1-hydroxyethyl]-1H-indol-3-yl]ethanol is C[C@H](O)c1[nH]c2cc(F)ccc2c1[C@H](C)O.
What is the InChIKey of (1S)-1-[6-fluoro-2-[(1S)-1-hydroxyethyl]-1H-indol-3-yl]ethanol?
The InChIKey is TTZSBJPIANWFNC-BQBZGAKWSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-6(15)11-9-4-3-8(13)5-10(9)14-12(11)7(2)16/h3-7,14-16H,1-2H3/t6-,7-/m0/s1.
What are the key properties of (1S)-1-[6-fluoro-2-[(1S)-1-hydroxyethyl]-1H-indol-3-yl]ethanol?
(1S)-1-[6-fluoro-2-[(1S)-1-hydroxyethyl]-1H-indol-3-yl]ethanol has a molecular weight of 223.25 g/mol, XLogP of 2.41, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[6-fluoro-2-[(1S)-1-hydroxyethyl]-1H-indol-3-yl]ethanol is sourced from PubChem (CID 24818826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).