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

C24H21NO3 — CID 3598775

IUPAC3-hydroxy-1-[(3-methylphenyl)methyl]-3-phenacylindol-2-one
SMILESCc1cccc(CN2C(=O)C(O)(CC(=O)c3ccccc3)c3ccccc32)c1
InChIInChI=1S/C24H21NO3/c1-17-8-7-9-18(14-17)16-25-21-13-6-5-12-20(21)24(28,23(25)27)15-22(26)19-10-3-2-4-11-19/h2-14,28H,15-16H2,1H3
InChIKeyYOMPBIPKRUCYJU-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.00
Rot. Bonds5

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

3-hydroxy-1-[(3-methylphenyl)methyl]-3-phenacylindol-2-one (PubChem CID 3598775) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 3-hydroxy-1-[(3-methylphenyl)methyl]-3-phenacylindol-2-one.

Molecular Properties

Compound Name3-hydroxy-1-[(3-methylphenyl)methyl]-3-phenacylindol-2-one
PubChem CID3598775
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC Name3-hydroxy-1-[(3-methylphenyl)methyl]-3-phenacylindol-2-one
SMILESCc1cccc(CN2C(=O)C(O)(CC(=O)c3ccccc3)c3ccccc32)c1
InChIInChI=1S/C24H21NO3/c1-17-8-7-9-18(14-17)16-25-21-13-6-5-12-20(21)24(28,23(25)27)15-22(26)19-10-3-2-4-11-19/h2-14,28H,15-16H2,1H3
InChIKeyYOMPBIPKRUCYJU-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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Related Compounds

(3R)-1-benzyl-3-hydroxy-3-phenacylindol-2-one
CID 7014468
(3R)-1-benzyl-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one
CID 7357344
(3S)-1-benzyl-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one
CID 7357342
1-[(3-fluorophenyl)methyl]-3-hydroxy-3-phenacylindol-2-one
CID 3708418
3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-[(3-methylphenyl)methyl]indol-2-one
CID 17077625
1-[(3-chlorophenyl)methyl]-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one
CID 45259055
(3R)-1-[(2,4-dimethylphenyl)methyl]-3-hydroxy-3-phenacylindol-2-one
CID 94842760
1-[(3-fluorophenyl)methyl]-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 3442140
1-[(3-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]indol-2-one
CID 66523103
(3R)-1-[(3-chlorophenyl)methyl]-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 95244675
(3S)-1-benzyl-3-hydroxy-3-[2-oxo-2-(3-pyrrol-1-ylphenyl)ethyl]indol-2-one
CID 2210775
(3R)-1-[(4-bromophenyl)methyl]-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one
CID 1425799

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[(3-methylphenyl)methyl]-3-phenacylindol-2-one?
The IUPAC name of 3-hydroxy-1-[(3-methylphenyl)methyl]-3-phenacylindol-2-one (CID 3598775) is 3-hydroxy-1-[(3-methylphenyl)methyl]-3-phenacylindol-2-one.
What is the SMILES notation for 3-hydroxy-1-[(3-methylphenyl)methyl]-3-phenacylindol-2-one?
The canonical SMILES for 3-hydroxy-1-[(3-methylphenyl)methyl]-3-phenacylindol-2-one is Cc1cccc(CN2C(=O)C(O)(CC(=O)c3ccccc3)c3ccccc32)c1.
What is the InChIKey of 3-hydroxy-1-[(3-methylphenyl)methyl]-3-phenacylindol-2-one?
The InChIKey is YOMPBIPKRUCYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO3/c1-17-8-7-9-18(14-17)16-25-21-13-6-5-12-20(21)24(28,23(25)27)15-22(26)19-10-3-2-4-11-19/h2-14,28H,15-16H2,1H3.
What are the key properties of 3-hydroxy-1-[(3-methylphenyl)methyl]-3-phenacylindol-2-one?
3-hydroxy-1-[(3-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-[(3-methylphenyl)methyl]-3-phenacylindol-2-one is sourced from PubChem (CID 3598775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).