5-bromo-3,3-bis(4-hydroxyphenyl)-1,7-dimethylindol-2-one

C22H18BrNO3 — CID 2895285

IUPAC5-bromo-3,3-bis(4-hydroxyphenyl)-1,7-dimethylindol-2-one
SMILESCc1cc(Br)cc2c1N(C)C(=O)C2(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C22H18BrNO3/c1-13-11-16(23)12-19-20(13)24(2)21(27)22(19,14-3-7-17(25)8-4-14)15-5-9-18(26)10-6-15/h3-12,25-26H,1-2H3
InChIKeyUGXBQXCKEYYELF-UHFFFAOYSA-N
MW424.29 g/mol
LogP4.48
Rot. Bonds2

About 5-bromo-3,3-bis(4-hydroxyphenyl)-1,7-dimethylindol-2-one

5-bromo-3,3-bis(4-hydroxyphenyl)-1,7-dimethylindol-2-one (PubChem CID 2895285) has the molecular formula C22H18BrNO3 and a molecular weight of 424.29 g/mol. Its IUPAC name is 5-bromo-3,3-bis(4-hydroxyphenyl)-1,7-dimethylindol-2-one.

Molecular Properties

Compound Name5-bromo-3,3-bis(4-hydroxyphenyl)-1,7-dimethylindol-2-one
PubChem CID2895285
Molecular FormulaC22H18BrNO3
Molecular Weight424.29 g/mol
Exact Mass423.05
IUPAC Name5-bromo-3,3-bis(4-hydroxyphenyl)-1,7-dimethylindol-2-one
SMILESCc1cc(Br)cc2c1N(C)C(=O)C2(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C22H18BrNO3/c1-13-11-16(23)12-19-20(13)24(2)21(27)22(19,14-3-7-17(25)8-4-14)15-5-9-18(26)10-6-15/h3-12,25-26H,1-2H3
InChIKeyUGXBQXCKEYYELF-UHFFFAOYSA-N
XLogP4.48
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.29
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3,3-bis(4-hydroxyphenyl)-1,7-dimethylindol-2-one?
The IUPAC name of 5-bromo-3,3-bis(4-hydroxyphenyl)-1,7-dimethylindol-2-one (CID 2895285) is 5-bromo-3,3-bis(4-hydroxyphenyl)-1,7-dimethylindol-2-one.
What is the SMILES notation for 5-bromo-3,3-bis(4-hydroxyphenyl)-1,7-dimethylindol-2-one?
The canonical SMILES for 5-bromo-3,3-bis(4-hydroxyphenyl)-1,7-dimethylindol-2-one is Cc1cc(Br)cc2c1N(C)C(=O)C2(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 5-bromo-3,3-bis(4-hydroxyphenyl)-1,7-dimethylindol-2-one?
The InChIKey is UGXBQXCKEYYELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrNO3/c1-13-11-16(23)12-19-20(13)24(2)21(27)22(19,14-3-7-17(25)8-4-14)15-5-9-18(26)10-6-15/h3-12,25-26H,1-2H3.
What are the key properties of 5-bromo-3,3-bis(4-hydroxyphenyl)-1,7-dimethylindol-2-one?
5-bromo-3,3-bis(4-hydroxyphenyl)-1,7-dimethylindol-2-one has a molecular weight of 424.29 g/mol, XLogP of 4.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3,3-bis(4-hydroxyphenyl)-1,7-dimethylindol-2-one is sourced from PubChem (CID 2895285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).