2-[bis(5-bromo-1H-indol-3-yl)methyl]-4-chlorophenol

C23H15Br2ClN2O — CID 86276293

IUPAC2-[bis(5-bromo-1H-indol-3-yl)methyl]-4-chlorophenol
SMILESOc1ccc(Cl)cc1C(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C23H15Br2ClN2O/c24-12-1-4-20-15(7-12)18(10-27-20)23(17-9-14(26)3-6-22(17)29)19-11-28-21-5-2-13(25)8-16(19)21/h1-11,23,27-29H
InChIKeyDSYUXLHBLKTCLS-UHFFFAOYSA-N
MW530.65 g/mol
LogP7.71
Rot. Bonds3

About 2-[bis(5-bromo-1H-indol-3-yl)methyl]-4-chlorophenol

2-[bis(5-bromo-1H-indol-3-yl)methyl]-4-chlorophenol (PubChem CID 86276293) has the molecular formula C23H15Br2ClN2O and a molecular weight of 530.65 g/mol. Its IUPAC name is 2-[bis(5-bromo-1H-indol-3-yl)methyl]-4-chlorophenol.

Molecular Properties

Compound Name2-[bis(5-bromo-1H-indol-3-yl)methyl]-4-chlorophenol
PubChem CID86276293
Molecular FormulaC23H15Br2ClN2O
Molecular Weight530.65 g/mol
Exact Mass527.92
IUPAC Name2-[bis(5-bromo-1H-indol-3-yl)methyl]-4-chlorophenol
SMILESOc1ccc(Cl)cc1C(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C23H15Br2ClN2O/c24-12-1-4-20-15(7-12)18(10-27-20)23(17-9-14(26)3-6-22(17)29)19-11-28-21-5-2-13(25)8-16(19)21/h1-11,23,27-29H
InChIKeyDSYUXLHBLKTCLS-UHFFFAOYSA-N
XLogP7.71
TPSA51.81 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.65
LogP ≤ 57.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Analyze 2-[bis(5-bromo-1H-indol-3-yl)methyl]-4-chlorophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[bis(5-bromo-1H-indol-3-yl)methyl]-4-chlorophenol?
The IUPAC name of 2-[bis(5-bromo-1H-indol-3-yl)methyl]-4-chlorophenol (CID 86276293) is 2-[bis(5-bromo-1H-indol-3-yl)methyl]-4-chlorophenol.
What is the SMILES notation for 2-[bis(5-bromo-1H-indol-3-yl)methyl]-4-chlorophenol?
The canonical SMILES for 2-[bis(5-bromo-1H-indol-3-yl)methyl]-4-chlorophenol is Oc1ccc(Cl)cc1C(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of 2-[bis(5-bromo-1H-indol-3-yl)methyl]-4-chlorophenol?
The InChIKey is DSYUXLHBLKTCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Br2ClN2O/c24-12-1-4-20-15(7-12)18(10-27-20)23(17-9-14(26)3-6-22(17)29)19-11-28-21-5-2-13(25)8-16(19)21/h1-11,23,27-29H.
What are the key properties of 2-[bis(5-bromo-1H-indol-3-yl)methyl]-4-chlorophenol?
2-[bis(5-bromo-1H-indol-3-yl)methyl]-4-chlorophenol has a molecular weight of 530.65 g/mol, XLogP of 7.71, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(5-bromo-1H-indol-3-yl)methyl]-4-chlorophenol is sourced from PubChem (CID 86276293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).