(2R)-2-(5-bromo-1H-indol-3-yl)-2-phenylethanol

C16H14BrNO — CID 10892445

IUPAC(2R)-2-(5-bromo-1H-indol-3-yl)-2-phenylethanol
SMILESOC[C@H](c1ccccc1)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C16H14BrNO/c17-12-6-7-16-13(8-12)14(9-18-16)15(10-19)11-4-2-1-3-5-11/h1-9,15,18-19H,10H2/t15-/m1/s1
InChIKeyZICPHDUPFFSEDC-OAHLLOKOSA-N
MW316.20 g/mol
LogP4.05
Rot. Bonds3

About (2R)-2-(5-bromo-1H-indol-3-yl)-2-phenylethanol

(2R)-2-(5-bromo-1H-indol-3-yl)-2-phenylethanol (PubChem CID 10892445) has the molecular formula C16H14BrNO and a molecular weight of 316.20 g/mol. Its IUPAC name is (2R)-2-(5-bromo-1H-indol-3-yl)-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-(5-bromo-1H-indol-3-yl)-2-phenylethanol
PubChem CID10892445
Molecular FormulaC16H14BrNO
Molecular Weight316.20 g/mol
Exact Mass315.03
IUPAC Name(2R)-2-(5-bromo-1H-indol-3-yl)-2-phenylethanol
SMILESOC[C@H](c1ccccc1)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C16H14BrNO/c17-12-6-7-16-13(8-12)14(9-18-16)15(10-19)11-4-2-1-3-5-11/h1-9,15,18-19H,10H2/t15-/m1/s1
InChIKeyZICPHDUPFFSEDC-OAHLLOKOSA-N
XLogP4.05
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-3-(1,3-diphenylpropyl)-1H-indole
CID 102325643
(3R)-3-(5-bromo-1H-indol-3-yl)-1,3-diphenylpropan-1-one
CID 50901334
(1R,2S)-2-(5-bromo-1H-indol-3-yl)-1,2-diphenylethanol
CID 102147782
5-bromo-3-[(E,1S)-1,3-diphenylprop-2-enyl]-1H-indole
CID 101435557
(3R)-3-(5-bromo-1H-indol-3-yl)butan-1-ol
CID 57332046
(3R)-3-amino-3-(5-bromo-1H-indol-3-yl)propan-1-ol
CID 97297266
2-(3-fluorophenyl)-2-(1H-indol-3-yl)ethanol
CID 175098776
2-(5-bromo-1H-indol-3-yl)-2-hydroxyacetic acid
CID 115073394
[2-(5-bromo-1H-indol-3-yl)phenyl]-phenylmethanol
CID 175194429
5-bromo-3-[(5-bromo-1H-indol-3-yl)-(3-methylphenyl)methyl]-1H-indole
CID 46845933
5-bromo-3-butan-2-yl-1H-indole
CID 106985240
3-(5-methoxy-1H-indol-3-yl)-3-phenylpropan-1-ol
CID 177308406

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-bromo-1H-indol-3-yl)-2-phenylethanol?
The IUPAC name of (2R)-2-(5-bromo-1H-indol-3-yl)-2-phenylethanol (CID 10892445) is (2R)-2-(5-bromo-1H-indol-3-yl)-2-phenylethanol.
What is the SMILES notation for (2R)-2-(5-bromo-1H-indol-3-yl)-2-phenylethanol?
The canonical SMILES for (2R)-2-(5-bromo-1H-indol-3-yl)-2-phenylethanol is OC[C@H](c1ccccc1)c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of (2R)-2-(5-bromo-1H-indol-3-yl)-2-phenylethanol?
The InChIKey is ZICPHDUPFFSEDC-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H14BrNO/c17-12-6-7-16-13(8-12)14(9-18-16)15(10-19)11-4-2-1-3-5-11/h1-9,15,18-19H,10H2/t15-/m1/s1.
What are the key properties of (2R)-2-(5-bromo-1H-indol-3-yl)-2-phenylethanol?
(2R)-2-(5-bromo-1H-indol-3-yl)-2-phenylethanol has a molecular weight of 316.20 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-bromo-1H-indol-3-yl)-2-phenylethanol is sourced from PubChem (CID 10892445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).