5-ethyl-3,3-bis(4-hydroxy-3-methylphenyl)-1H-indol-2-one

C24H23NO3 — CID 2895807

IUPAC5-ethyl-3,3-bis(4-hydroxy-3-methylphenyl)-1H-indol-2-one
SMILESCCc1ccc2c(c1)C(c1ccc(O)c(C)c1)(c1ccc(O)c(C)c1)C(=O)N2
InChIInChI=1S/C24H23NO3/c1-4-16-5-8-20-19(13-16)24(23(28)25-20,17-6-9-21(26)14(2)11-17)18-7-10-22(27)15(3)12-18/h5-13,26-27H,4H2,1-3H3,(H,25,28)
InChIKeyPBXUBNQHCWJLMH-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.56
Rot. Bonds3

About 5-ethyl-3,3-bis(4-hydroxy-3-methylphenyl)-1H-indol-2-one

5-ethyl-3,3-bis(4-hydroxy-3-methylphenyl)-1H-indol-2-one (PubChem CID 2895807) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is 5-ethyl-3,3-bis(4-hydroxy-3-methylphenyl)-1H-indol-2-one.

Molecular Properties

Compound Name5-ethyl-3,3-bis(4-hydroxy-3-methylphenyl)-1H-indol-2-one
PubChem CID2895807
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name5-ethyl-3,3-bis(4-hydroxy-3-methylphenyl)-1H-indol-2-one
SMILESCCc1ccc2c(c1)C(c1ccc(O)c(C)c1)(c1ccc(O)c(C)c1)C(=O)N2
InChIInChI=1S/C24H23NO3/c1-4-16-5-8-20-19(13-16)24(23(28)25-20,17-6-9-21(26)14(2)11-17)18-7-10-22(27)15(3)12-18/h5-13,26-27H,4H2,1-3H3,(H,25,28)
InChIKeyPBXUBNQHCWJLMH-UHFFFAOYSA-N
XLogP4.56
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3,3-bis(4-hydroxy-3-methylphenyl)-1H-indol-2-one?
The IUPAC name of 5-ethyl-3,3-bis(4-hydroxy-3-methylphenyl)-1H-indol-2-one (CID 2895807) is 5-ethyl-3,3-bis(4-hydroxy-3-methylphenyl)-1H-indol-2-one.
What is the SMILES notation for 5-ethyl-3,3-bis(4-hydroxy-3-methylphenyl)-1H-indol-2-one?
The canonical SMILES for 5-ethyl-3,3-bis(4-hydroxy-3-methylphenyl)-1H-indol-2-one is CCc1ccc2c(c1)C(c1ccc(O)c(C)c1)(c1ccc(O)c(C)c1)C(=O)N2.
What is the InChIKey of 5-ethyl-3,3-bis(4-hydroxy-3-methylphenyl)-1H-indol-2-one?
The InChIKey is PBXUBNQHCWJLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-4-16-5-8-20-19(13-16)24(23(28)25-20,17-6-9-21(26)14(2)11-17)18-7-10-22(27)15(3)12-18/h5-13,26-27H,4H2,1-3H3,(H,25,28).
What are the key properties of 5-ethyl-3,3-bis(4-hydroxy-3-methylphenyl)-1H-indol-2-one?
5-ethyl-3,3-bis(4-hydroxy-3-methylphenyl)-1H-indol-2-one has a molecular weight of 373.45 g/mol, XLogP of 4.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3,3-bis(4-hydroxy-3-methylphenyl)-1H-indol-2-one is sourced from PubChem (CID 2895807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).