3-hydroxy-1-[(4-methylphenyl)methyl]-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one

C25H23NO3 — CID 15991223

IUPAC3-hydroxy-1-[(4-methylphenyl)methyl]-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one
SMILESCc1ccc(CN2C(=O)C(O)(CC(=O)c3ccc(C)cc3)c3ccccc32)cc1
InChIInChI=1S/C25H23NO3/c1-17-7-11-19(12-8-17)16-26-22-6-4-3-5-21(22)25(29,24(26)28)15-23(27)20-13-9-18(2)10-14-20/h3-14,29H,15-16H2,1-2H3
InChIKeyYXFXZHPDXNBWBS-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.31
Rot. Bonds5

About 3-hydroxy-1-[(4-methylphenyl)methyl]-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one

3-hydroxy-1-[(4-methylphenyl)methyl]-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one (PubChem CID 15991223) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is 3-hydroxy-1-[(4-methylphenyl)methyl]-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one.

Molecular Properties

Compound Name3-hydroxy-1-[(4-methylphenyl)methyl]-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one
PubChem CID15991223
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC Name3-hydroxy-1-[(4-methylphenyl)methyl]-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one
SMILESCc1ccc(CN2C(=O)C(O)(CC(=O)c3ccc(C)cc3)c3ccccc32)cc1
InChIInChI=1S/C25H23NO3/c1-17-7-11-19(12-8-17)16-26-22-6-4-3-5-21(22)25(29,24(26)28)15-23(27)20-13-9-18(2)10-14-20/h3-14,29H,15-16H2,1-2H3
InChIKeyYXFXZHPDXNBWBS-UHFFFAOYSA-N
XLogP4.31
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[(4-methylphenyl)methyl]-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one?
The IUPAC name of 3-hydroxy-1-[(4-methylphenyl)methyl]-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one (CID 15991223) is 3-hydroxy-1-[(4-methylphenyl)methyl]-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one.
What is the SMILES notation for 3-hydroxy-1-[(4-methylphenyl)methyl]-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one?
The canonical SMILES for 3-hydroxy-1-[(4-methylphenyl)methyl]-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one is Cc1ccc(CN2C(=O)C(O)(CC(=O)c3ccc(C)cc3)c3ccccc32)cc1.
What is the InChIKey of 3-hydroxy-1-[(4-methylphenyl)methyl]-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one?
The InChIKey is YXFXZHPDXNBWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO3/c1-17-7-11-19(12-8-17)16-26-22-6-4-3-5-21(22)25(29,24(26)28)15-23(27)20-13-9-18(2)10-14-20/h3-14,29H,15-16H2,1-2H3.
What are the key properties of 3-hydroxy-1-[(4-methylphenyl)methyl]-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one?
3-hydroxy-1-[(4-methylphenyl)methyl]-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one has a molecular weight of 385.46 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[(4-methylphenyl)methyl]-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one is sourced from PubChem (CID 15991223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).