(1R,2S)-2-(5-bromo-1H-indol-3-yl)-1,2-diphenylethanol

C22H18BrNO — CID 102147782

IUPAC(1R,2S)-2-(5-bromo-1H-indol-3-yl)-1,2-diphenylethanol
SMILESO[C@@H](c1ccccc1)[C@@H](c1ccccc1)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C22H18BrNO/c23-17-11-12-20-18(13-17)19(14-24-20)21(15-7-3-1-4-8-15)22(25)16-9-5-2-6-10-16/h1-14,21-22,24-25H/t21-,22-/m0/s1
InChIKeyXYOHQEGDYIKOPK-VXKWHMMOSA-N
MW392.30 g/mol
LogP5.80
Rot. Bonds4

About (1R,2S)-2-(5-bromo-1H-indol-3-yl)-1,2-diphenylethanol

(1R,2S)-2-(5-bromo-1H-indol-3-yl)-1,2-diphenylethanol (PubChem CID 102147782) has the molecular formula C22H18BrNO and a molecular weight of 392.30 g/mol. Its IUPAC name is (1R,2S)-2-(5-bromo-1H-indol-3-yl)-1,2-diphenylethanol.

Molecular Properties

Compound Name(1R,2S)-2-(5-bromo-1H-indol-3-yl)-1,2-diphenylethanol
PubChem CID102147782
Molecular FormulaC22H18BrNO
Molecular Weight392.30 g/mol
Exact Mass391.06
IUPAC Name(1R,2S)-2-(5-bromo-1H-indol-3-yl)-1,2-diphenylethanol
SMILESO[C@@H](c1ccccc1)[C@@H](c1ccccc1)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C22H18BrNO/c23-17-11-12-20-18(13-17)19(14-24-20)21(15-7-3-1-4-8-15)22(25)16-9-5-2-6-10-16/h1-14,21-22,24-25H/t21-,22-/m0/s1
InChIKeyXYOHQEGDYIKOPK-VXKWHMMOSA-N
XLogP5.80
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.30
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,2R)-2-(1H-indol-3-yl)-1,2-diphenylethanol
CID 15981834
(2R)-2-(5-bromo-1H-indol-3-yl)-2-phenylethanol
CID 10892445
2-(5-bromo-1H-indol-3-yl)-2-hydroxyacetic acid
CID 115073394
5-bromo-3-(1,3-diphenylpropyl)-1H-indole
CID 102325643
[2-(5-bromo-1H-indol-3-yl)phenyl]-phenylmethanol
CID 175194429
(3R)-3-(5-bromo-1H-indol-3-yl)-1,3-diphenylpropan-1-one
CID 50901334
5-bromo-3-[(E,1S)-1,3-diphenylprop-2-enyl]-1H-indole
CID 101435557
(1R,2R)-2-(1H-indol-3-yl)-1,2-bis(4-methylphenyl)ethanol
CID 164684988
5-bromo-3-[(5-bromo-1H-indol-3-yl)-(3-methylphenyl)methyl]-1H-indole
CID 46845933
N-[1-(5-bromo-1H-indol-3-yl)-3-oxo-1,3-diphenylpropan-2-yl]-4-methylbenzenesulfonamide
CID 134844607
5-bromo-3-(3-methylbutan-2-yl)-1H-indole
CID 106985167
(1R)-1-(5-bromo-1H-indol-3-yl)ethanamine
CID 79018503

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-(5-bromo-1H-indol-3-yl)-1,2-diphenylethanol?
The IUPAC name of (1R,2S)-2-(5-bromo-1H-indol-3-yl)-1,2-diphenylethanol (CID 102147782) is (1R,2S)-2-(5-bromo-1H-indol-3-yl)-1,2-diphenylethanol.
What is the SMILES notation for (1R,2S)-2-(5-bromo-1H-indol-3-yl)-1,2-diphenylethanol?
The canonical SMILES for (1R,2S)-2-(5-bromo-1H-indol-3-yl)-1,2-diphenylethanol is O[C@@H](c1ccccc1)[C@@H](c1ccccc1)c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of (1R,2S)-2-(5-bromo-1H-indol-3-yl)-1,2-diphenylethanol?
The InChIKey is XYOHQEGDYIKOPK-VXKWHMMOSA-N. The full InChI is InChI=1S/C22H18BrNO/c23-17-11-12-20-18(13-17)19(14-24-20)21(15-7-3-1-4-8-15)22(25)16-9-5-2-6-10-16/h1-14,21-22,24-25H/t21-,22-/m0/s1.
What are the key properties of (1R,2S)-2-(5-bromo-1H-indol-3-yl)-1,2-diphenylethanol?
(1R,2S)-2-(5-bromo-1H-indol-3-yl)-1,2-diphenylethanol has a molecular weight of 392.30 g/mol, XLogP of 5.80, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-(5-bromo-1H-indol-3-yl)-1,2-diphenylethanol is sourced from PubChem (CID 102147782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).