3-hydroxy-1-methyl-3-phenyl-5-propan-2-ylindol-2-one

C18H19NO2 — CID 102166868

IUPAC3-hydroxy-1-methyl-3-phenyl-5-propan-2-ylindol-2-one
SMILESCC(C)c1ccc2c(c1)C(O)(c1ccccc1)C(=O)N2C
InChIInChI=1S/C18H19NO2/c1-12(2)13-9-10-16-15(11-13)18(21,17(20)19(16)3)14-7-5-4-6-8-14/h4-12,21H,1-3H3
InChIKeyGYTLXFWEDUKPRP-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.02
Rot. Bonds2

About 3-hydroxy-1-methyl-3-phenyl-5-propan-2-ylindol-2-one

3-hydroxy-1-methyl-3-phenyl-5-propan-2-ylindol-2-one (PubChem CID 102166868) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-3-phenyl-5-propan-2-ylindol-2-one.

Molecular Properties

Compound Name3-hydroxy-1-methyl-3-phenyl-5-propan-2-ylindol-2-one
PubChem CID102166868
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name3-hydroxy-1-methyl-3-phenyl-5-propan-2-ylindol-2-one
SMILESCC(C)c1ccc2c(c1)C(O)(c1ccccc1)C(=O)N2C
InChIInChI=1S/C18H19NO2/c1-12(2)13-9-10-16-15(11-13)18(21,17(20)19(16)3)14-7-5-4-6-8-14/h4-12,21H,1-3H3
InChIKeyGYTLXFWEDUKPRP-UHFFFAOYSA-N
XLogP3.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-6-methoxy-1-methyl-3-phenylindol-2-one
CID 139255146
3-hydroxy-1-methyl-3-phenylquinoline-2,4-dione
CID 2784777
3-hydroxy-1-methyl-3-[4-(trifluoromethyl)phenyl]indol-2-one
CID 44603962
(3R)-3-hydroxy-1-methyl-3-[2-(2-methyl-5-propan-2-ylphenyl)-2-oxoethyl]indol-2-one
CID 957730
3-ethyl-1-methyl-3-[2-(methylamino)ethyl]-5-propan-2-ylindol-2-one
CID 178050283
1'-methyl-2',5-dioxo-3-phenyl-5'-propan-2-ylspiro[4,6-dihydrothieno[3,2-b]pyridine-7,3'-indole]-2-carboxylic acid
CID 42653428
CID 175777656
CID 175777656
5-(1-hydroxypropyl)-1,3,3-trimethylindol-2-one
CID 82172350
(3S)-5-bromo-3-hydroxy-1-methyl-3-[(2S)-1-oxo-1-phenylpropan-2-yl]indol-2-one
CID 7281206
(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681
(3S)-5-bromo-3-hydroxy-1-methyl-3-[2-(2-methyl-5-propan-2-ylphenyl)-2-oxoethyl]indol-2-one
CID 7281227
5-(1-hydroxypentyl)-1,3,3-trimethylindol-2-one
CID 82172354

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-3-phenyl-5-propan-2-ylindol-2-one?
The IUPAC name of 3-hydroxy-1-methyl-3-phenyl-5-propan-2-ylindol-2-one (CID 102166868) is 3-hydroxy-1-methyl-3-phenyl-5-propan-2-ylindol-2-one.
What is the SMILES notation for 3-hydroxy-1-methyl-3-phenyl-5-propan-2-ylindol-2-one?
The canonical SMILES for 3-hydroxy-1-methyl-3-phenyl-5-propan-2-ylindol-2-one is CC(C)c1ccc2c(c1)C(O)(c1ccccc1)C(=O)N2C.
What is the InChIKey of 3-hydroxy-1-methyl-3-phenyl-5-propan-2-ylindol-2-one?
The InChIKey is GYTLXFWEDUKPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-12(2)13-9-10-16-15(11-13)18(21,17(20)19(16)3)14-7-5-4-6-8-14/h4-12,21H,1-3H3.
What are the key properties of 3-hydroxy-1-methyl-3-phenyl-5-propan-2-ylindol-2-one?
3-hydroxy-1-methyl-3-phenyl-5-propan-2-ylindol-2-one has a molecular weight of 281.36 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-3-phenyl-5-propan-2-ylindol-2-one is sourced from PubChem (CID 102166868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).