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

C24H21NO3 — CID 2925179

IUPAC3-hydroxy-1-[(4-methylphenyl)methyl]-3-phenacylindol-2-one
SMILESCc1ccc(CN2C(=O)C(O)(CC(=O)c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C24H21NO3/c1-17-11-13-18(14-12-17)16-25-21-10-6-5-9-20(21)24(28,23(25)27)15-22(26)19-7-3-2-4-8-19/h2-14,28H,15-16H2,1H3
InChIKeyZTMZQRWIMNWJBY-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.00
Rot. Bonds5

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

3-hydroxy-1-[(4-methylphenyl)methyl]-3-phenacylindol-2-one (PubChem CID 2925179) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 3-hydroxy-1-[(4-methylphenyl)methyl]-3-phenacylindol-2-one.

Molecular Properties

Compound Name3-hydroxy-1-[(4-methylphenyl)methyl]-3-phenacylindol-2-one
PubChem CID2925179
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC Name3-hydroxy-1-[(4-methylphenyl)methyl]-3-phenacylindol-2-one
SMILESCc1ccc(CN2C(=O)C(O)(CC(=O)c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C24H21NO3/c1-17-11-13-18(14-12-17)16-25-21-10-6-5-9-20(21)24(28,23(25)27)15-22(26)19-7-3-2-4-8-19/h2-14,28H,15-16H2,1H3
InChIKeyZTMZQRWIMNWJBY-UHFFFAOYSA-N
XLogP4.00
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.00
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-phenacylindol-2-one?
The IUPAC name of 3-hydroxy-1-[(4-methylphenyl)methyl]-3-phenacylindol-2-one (CID 2925179) is 3-hydroxy-1-[(4-methylphenyl)methyl]-3-phenacylindol-2-one.
What is the SMILES notation for 3-hydroxy-1-[(4-methylphenyl)methyl]-3-phenacylindol-2-one?
The canonical SMILES for 3-hydroxy-1-[(4-methylphenyl)methyl]-3-phenacylindol-2-one is Cc1ccc(CN2C(=O)C(O)(CC(=O)c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of 3-hydroxy-1-[(4-methylphenyl)methyl]-3-phenacylindol-2-one?
The InChIKey is ZTMZQRWIMNWJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO3/c1-17-11-13-18(14-12-17)16-25-21-10-6-5-9-20(21)24(28,23(25)27)15-22(26)19-7-3-2-4-8-19/h2-14,28H,15-16H2,1H3.
What are the key properties of 3-hydroxy-1-[(4-methylphenyl)methyl]-3-phenacylindol-2-one?
3-hydroxy-1-[(4-methylphenyl)methyl]-3-phenacylindol-2-one has a molecular weight of 371.44 g/mol, XLogP of 4.00, 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-phenacylindol-2-one is sourced from PubChem (CID 2925179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).