3-(2-hydroxy-4-methylphenyl)-3-(4-hydroxy-2-methylphenyl)-1H-indol-2-one

C22H19NO3 — CID 165341869

IUPAC3-(2-hydroxy-4-methylphenyl)-3-(4-hydroxy-2-methylphenyl)-1H-indol-2-one
SMILESCc1ccc(C2(c3ccc(O)cc3C)C(=O)Nc3ccccc32)c(O)c1
InChIInChI=1S/C22H19NO3/c1-13-7-9-18(20(25)11-13)22(16-10-8-15(24)12-14(16)2)17-5-3-4-6-19(17)23-21(22)26/h3-12,24-25H,1-2H3,(H,23,26)
InChIKeyKBQFOBUPVVJIRW-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.00
Rot. Bonds2

About 3-(2-hydroxy-4-methylphenyl)-3-(4-hydroxy-2-methylphenyl)-1H-indol-2-one

3-(2-hydroxy-4-methylphenyl)-3-(4-hydroxy-2-methylphenyl)-1H-indol-2-one (PubChem CID 165341869) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-(2-hydroxy-4-methylphenyl)-3-(4-hydroxy-2-methylphenyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-(2-hydroxy-4-methylphenyl)-3-(4-hydroxy-2-methylphenyl)-1H-indol-2-one
PubChem CID165341869
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name3-(2-hydroxy-4-methylphenyl)-3-(4-hydroxy-2-methylphenyl)-1H-indol-2-one
SMILESCc1ccc(C2(c3ccc(O)cc3C)C(=O)Nc3ccccc32)c(O)c1
InChIInChI=1S/C22H19NO3/c1-13-7-9-18(20(25)11-13)22(16-10-8-15(24)12-14(16)2)17-5-3-4-6-19(17)23-21(22)26/h3-12,24-25H,1-2H3,(H,23,26)
InChIKeyKBQFOBUPVVJIRW-UHFFFAOYSA-N
XLogP4.00
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-4-methylphenyl)-3-(4-hydroxy-2-methylphenyl)-1H-indol-2-one?
The IUPAC name of 3-(2-hydroxy-4-methylphenyl)-3-(4-hydroxy-2-methylphenyl)-1H-indol-2-one (CID 165341869) is 3-(2-hydroxy-4-methylphenyl)-3-(4-hydroxy-2-methylphenyl)-1H-indol-2-one.
What is the SMILES notation for 3-(2-hydroxy-4-methylphenyl)-3-(4-hydroxy-2-methylphenyl)-1H-indol-2-one?
The canonical SMILES for 3-(2-hydroxy-4-methylphenyl)-3-(4-hydroxy-2-methylphenyl)-1H-indol-2-one is Cc1ccc(C2(c3ccc(O)cc3C)C(=O)Nc3ccccc32)c(O)c1.
What is the InChIKey of 3-(2-hydroxy-4-methylphenyl)-3-(4-hydroxy-2-methylphenyl)-1H-indol-2-one?
The InChIKey is KBQFOBUPVVJIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c1-13-7-9-18(20(25)11-13)22(16-10-8-15(24)12-14(16)2)17-5-3-4-6-19(17)23-21(22)26/h3-12,24-25H,1-2H3,(H,23,26).
What are the key properties of 3-(2-hydroxy-4-methylphenyl)-3-(4-hydroxy-2-methylphenyl)-1H-indol-2-one?
3-(2-hydroxy-4-methylphenyl)-3-(4-hydroxy-2-methylphenyl)-1H-indol-2-one has a molecular weight of 345.40 g/mol, XLogP of 4.00, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-4-methylphenyl)-3-(4-hydroxy-2-methylphenyl)-1H-indol-2-one is sourced from PubChem (CID 165341869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).