2,4-dibromo-6-[1H-indol-3-yl(phenyl)methyl]phenol

C21H15Br2NO — CID 172802738

IUPAC2,4-dibromo-6-[1H-indol-3-yl(phenyl)methyl]phenol
SMILESOc1c(Br)cc(Br)cc1C(c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C21H15Br2NO/c22-14-10-16(21(25)18(23)11-14)20(13-6-2-1-3-7-13)17-12-24-19-9-5-4-8-15(17)19/h1-12,20,24-25H
InChIKeyRBZAYEILJMFFQK-UHFFFAOYSA-N
MW457.17 g/mol
LogP6.58
Rot. Bonds3

About 2,4-dibromo-6-[1H-indol-3-yl(phenyl)methyl]phenol

2,4-dibromo-6-[1H-indol-3-yl(phenyl)methyl]phenol (PubChem CID 172802738) has the molecular formula C21H15Br2NO and a molecular weight of 457.17 g/mol. Its IUPAC name is 2,4-dibromo-6-[1H-indol-3-yl(phenyl)methyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[1H-indol-3-yl(phenyl)methyl]phenol
PubChem CID172802738
Molecular FormulaC21H15Br2NO
Molecular Weight457.17 g/mol
Exact Mass454.95
IUPAC Name2,4-dibromo-6-[1H-indol-3-yl(phenyl)methyl]phenol
SMILESOc1c(Br)cc(Br)cc1C(c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C21H15Br2NO/c22-14-10-16(21(25)18(23)11-14)20(13-6-2-1-3-7-13)17-12-24-19-9-5-4-8-15(17)19/h1-12,20,24-25H
InChIKeyRBZAYEILJMFFQK-UHFFFAOYSA-N
XLogP6.58
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.17
LogP ≤ 56.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-bromophenyl)-(1H-indol-3-yl)methyl]phenol
CID 172711246
6-bromo-1-[1H-indol-3-yl(phenyl)methyl]naphthalen-2-ol
CID 132544935
3-[1H-indol-3-yl(phenyl)methyl]-5-methyl-1H-indole
CID 25098654
3-[(2,4-dimethoxyphenyl)-phenylmethyl]-1H-indole
CID 72701742
3-[phenyl(1H-pyrrol-2-yl)methyl]-1H-indole
CID 57468591
2-[(6-chloro-1H-indol-3-yl)-phenylmethyl]phenol
CID 172685191
3-[bis(4-methoxyphenyl)methyl]-1H-indole
CID 4102319
(1R,2R)-2-(1H-indol-3-yl)-1,2-diphenylethanol
CID 15981834
3-[(3,5-dibromo-2-hydroxyphenyl)-(4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-one
CID 54732573
1-benzyl-3-[1H-indol-3-yl(phenyl)methyl]indole
CID 132990308
2-(1H-indol-3-yl)-2-phenylethanamine
CID 609935
2-[1H-indol-3-yl-(4-phenylphenyl)methyl]-1H-indole
CID 86045351

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[1H-indol-3-yl(phenyl)methyl]phenol?
The IUPAC name of 2,4-dibromo-6-[1H-indol-3-yl(phenyl)methyl]phenol (CID 172802738) is 2,4-dibromo-6-[1H-indol-3-yl(phenyl)methyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[1H-indol-3-yl(phenyl)methyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[1H-indol-3-yl(phenyl)methyl]phenol is Oc1c(Br)cc(Br)cc1C(c1ccccc1)c1c[nH]c2ccccc12.
What is the InChIKey of 2,4-dibromo-6-[1H-indol-3-yl(phenyl)methyl]phenol?
The InChIKey is RBZAYEILJMFFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Br2NO/c22-14-10-16(21(25)18(23)11-14)20(13-6-2-1-3-7-13)17-12-24-19-9-5-4-8-15(17)19/h1-12,20,24-25H.
What are the key properties of 2,4-dibromo-6-[1H-indol-3-yl(phenyl)methyl]phenol?
2,4-dibromo-6-[1H-indol-3-yl(phenyl)methyl]phenol has a molecular weight of 457.17 g/mol, XLogP of 6.58, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[1H-indol-3-yl(phenyl)methyl]phenol is sourced from PubChem (CID 172802738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).