[2-(5-bromo-1H-indol-3-yl)phenyl]-phenylmethanol

C21H16BrNO — CID 175194429

IUPAC[2-(5-bromo-1H-indol-3-yl)phenyl]-phenylmethanol
SMILESOC(c1ccccc1)c1ccccc1-c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C21H16BrNO/c22-15-10-11-20-18(12-15)19(13-23-20)16-8-4-5-9-17(16)21(24)14-6-2-1-3-7-14/h1-13,21,23-24H
InChIKeyDIHVYTWATLBJII-UHFFFAOYSA-N
MW378.27 g/mol
LogP5.68
Rot. Bonds3

About [2-(5-bromo-1H-indol-3-yl)phenyl]-phenylmethanol

[2-(5-bromo-1H-indol-3-yl)phenyl]-phenylmethanol (PubChem CID 175194429) has the molecular formula C21H16BrNO and a molecular weight of 378.27 g/mol. Its IUPAC name is [2-(5-bromo-1H-indol-3-yl)phenyl]-phenylmethanol.

Molecular Properties

Compound Name[2-(5-bromo-1H-indol-3-yl)phenyl]-phenylmethanol
PubChem CID175194429
Molecular FormulaC21H16BrNO
Molecular Weight378.27 g/mol
Exact Mass377.04
IUPAC Name[2-(5-bromo-1H-indol-3-yl)phenyl]-phenylmethanol
SMILESOC(c1ccccc1)c1ccccc1-c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C21H16BrNO/c22-15-10-11-20-18(12-15)19(13-23-20)16-8-4-5-9-17(16)21(24)14-6-2-1-3-7-14/h1-13,21,23-24H
InChIKeyDIHVYTWATLBJII-UHFFFAOYSA-N
XLogP5.68
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.27
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-(5-bromo-1H-indol-3-yl)phenyl]-phenylmethanol?
The IUPAC name of [2-(5-bromo-1H-indol-3-yl)phenyl]-phenylmethanol (CID 175194429) is [2-(5-bromo-1H-indol-3-yl)phenyl]-phenylmethanol.
What is the SMILES notation for [2-(5-bromo-1H-indol-3-yl)phenyl]-phenylmethanol?
The canonical SMILES for [2-(5-bromo-1H-indol-3-yl)phenyl]-phenylmethanol is OC(c1ccccc1)c1ccccc1-c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of [2-(5-bromo-1H-indol-3-yl)phenyl]-phenylmethanol?
The InChIKey is DIHVYTWATLBJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrNO/c22-15-10-11-20-18(12-15)19(13-23-20)16-8-4-5-9-17(16)21(24)14-6-2-1-3-7-14/h1-13,21,23-24H.
What are the key properties of [2-(5-bromo-1H-indol-3-yl)phenyl]-phenylmethanol?
[2-(5-bromo-1H-indol-3-yl)phenyl]-phenylmethanol has a molecular weight of 378.27 g/mol, XLogP of 5.68, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromo-1H-indol-3-yl)phenyl]-phenylmethanol is sourced from PubChem (CID 175194429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).