5-bromo-3,3-bis(4-hydroxyphenyl)-1H-indol-2-one

C20H14BrNO3 — CID 2895076

IUPAC5-bromo-3,3-bis(4-hydroxyphenyl)-1H-indol-2-one
SMILESO=C1Nc2ccc(Br)cc2C1(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C20H14BrNO3/c21-14-5-10-18-17(11-14)20(19(25)22-18,12-1-6-15(23)7-2-12)13-3-8-16(24)9-4-13/h1-11,23-24H,(H,22,25)
InChIKeyLBFPJLRSMPVXNZ-UHFFFAOYSA-N
MW396.24 g/mol
LogP4.15
Rot. Bonds2

About 5-bromo-3,3-bis(4-hydroxyphenyl)-1H-indol-2-one

5-bromo-3,3-bis(4-hydroxyphenyl)-1H-indol-2-one (PubChem CID 2895076) has the molecular formula C20H14BrNO3 and a molecular weight of 396.24 g/mol. Its IUPAC name is 5-bromo-3,3-bis(4-hydroxyphenyl)-1H-indol-2-one.

Molecular Properties

Compound Name5-bromo-3,3-bis(4-hydroxyphenyl)-1H-indol-2-one
PubChem CID2895076
Molecular FormulaC20H14BrNO3
Molecular Weight396.24 g/mol
Exact Mass395.02
IUPAC Name5-bromo-3,3-bis(4-hydroxyphenyl)-1H-indol-2-one
SMILESO=C1Nc2ccc(Br)cc2C1(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C20H14BrNO3/c21-14-5-10-18-17(11-14)20(19(25)22-18,12-1-6-15(23)7-2-12)13-3-8-16(24)9-4-13/h1-11,23-24H,(H,22,25)
InChIKeyLBFPJLRSMPVXNZ-UHFFFAOYSA-N
XLogP4.15
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.24
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3,3-bis(4-hydroxyphenyl)-1H-indol-2-one?
The IUPAC name of 5-bromo-3,3-bis(4-hydroxyphenyl)-1H-indol-2-one (CID 2895076) is 5-bromo-3,3-bis(4-hydroxyphenyl)-1H-indol-2-one.
What is the SMILES notation for 5-bromo-3,3-bis(4-hydroxyphenyl)-1H-indol-2-one?
The canonical SMILES for 5-bromo-3,3-bis(4-hydroxyphenyl)-1H-indol-2-one is O=C1Nc2ccc(Br)cc2C1(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 5-bromo-3,3-bis(4-hydroxyphenyl)-1H-indol-2-one?
The InChIKey is LBFPJLRSMPVXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrNO3/c21-14-5-10-18-17(11-14)20(19(25)22-18,12-1-6-15(23)7-2-12)13-3-8-16(24)9-4-13/h1-11,23-24H,(H,22,25).
What are the key properties of 5-bromo-3,3-bis(4-hydroxyphenyl)-1H-indol-2-one?
5-bromo-3,3-bis(4-hydroxyphenyl)-1H-indol-2-one has a molecular weight of 396.24 g/mol, XLogP of 4.15, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3,3-bis(4-hydroxyphenyl)-1H-indol-2-one is sourced from PubChem (CID 2895076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).