3-(5-fluoro-2-hydroxy-4-methylphenyl)-3-(4-hydroxy-3,5-dimethylphenyl)-1-(3-methylphenyl)indol-2-one

C30H26FNO3 — CID 58914740

IUPAC3-(5-fluoro-2-hydroxy-4-methylphenyl)-3-(4-hydroxy-3,5-dimethylphenyl)-1-(3-methylphenyl)indol-2-one
SMILESCc1cccc(N2C(=O)C(c3cc(C)c(O)c(C)c3)(c3cc(F)c(C)cc3O)c3ccccc32)c1
InChIInChI=1S/C30H26FNO3/c1-17-8-7-9-22(12-17)32-26-11-6-5-10-23(26)30(29(32)35,21-13-19(3)28(34)20(4)14-21)24-16-25(31)18(2)15-27(24)33/h5-16,33-34H,1-4H3
InChIKeyDBCMXKXWNYHWIZ-UHFFFAOYSA-N
MW467.54 g/mol
LogP6.48
Rot. Bonds3

About 3-(5-fluoro-2-hydroxy-4-methylphenyl)-3-(4-hydroxy-3,5-dimethylphenyl)-1-(3-methylphenyl)indol-2-one

3-(5-fluoro-2-hydroxy-4-methylphenyl)-3-(4-hydroxy-3,5-dimethylphenyl)-1-(3-methylphenyl)indol-2-one (PubChem CID 58914740) has the molecular formula C30H26FNO3 and a molecular weight of 467.54 g/mol. Its IUPAC name is 3-(5-fluoro-2-hydroxy-4-methylphenyl)-3-(4-hydroxy-3,5-dimethylphenyl)-1-(3-methylphenyl)indol-2-one.

Molecular Properties

Compound Name3-(5-fluoro-2-hydroxy-4-methylphenyl)-3-(4-hydroxy-3,5-dimethylphenyl)-1-(3-methylphenyl)indol-2-one
PubChem CID58914740
Molecular FormulaC30H26FNO3
Molecular Weight467.54 g/mol
Exact Mass467.19
IUPAC Name3-(5-fluoro-2-hydroxy-4-methylphenyl)-3-(4-hydroxy-3,5-dimethylphenyl)-1-(3-methylphenyl)indol-2-one
SMILESCc1cccc(N2C(=O)C(c3cc(C)c(O)c(C)c3)(c3cc(F)c(C)cc3O)c3ccccc32)c1
InChIInChI=1S/C30H26FNO3/c1-17-8-7-9-22(12-17)32-26-11-6-5-10-23(26)30(29(32)35,21-13-19(3)28(34)20(4)14-21)24-16-25(31)18(2)15-27(24)33/h5-16,33-34H,1-4H3
InChIKeyDBCMXKXWNYHWIZ-UHFFFAOYSA-N
XLogP6.48
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.54
LogP ≤ 56.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dihydroxy-3-methylphenyl)-3-(4-hydroxy-3,5-dimethylphenyl)-1-(3-methylphenyl)indol-2-one
CID 11167202
1-[(2,4-difluorophenyl)methyl]-3,3-bis(4-hydroxy-3,5-dimethylphenyl)indol-2-one
CID 10152326
3,3-bis(2-hydroxy-5-phenylphenyl)-1-phenylindol-2-one
CID 137479922
1-benzyl-3,3-bis(4-hydroxy-3-methylphenyl)indol-2-one
CID 2802496
1-(3-methylphenyl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 56977746
10-[4-(9,10-diphenylacridin-9-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine
CID 135226075
tert-butyl 3-[(3S)-1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-2-oxo-3-phenylindole-1-carboxylate
CID 139259437
9,9-bis(2-methylphenyl)-10-phenylacridine
CID 59470095
9-fluoro-10-[3-(9-fluoro-9-methylacridin-10-yl)phenyl]-9-methylacridine
CID 59399643
(3S)-3-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 1130382
2-methyl-10-(4-methylphenyl)-9,9-diphenylacridine
CID 58029188
3-(1H-benzimidazol-2-yl)-3-(2-fluoro-6-hydroxyphenyl)-1-methylindol-2-one
CID 169092859

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-hydroxy-4-methylphenyl)-3-(4-hydroxy-3,5-dimethylphenyl)-1-(3-methylphenyl)indol-2-one?
The IUPAC name of 3-(5-fluoro-2-hydroxy-4-methylphenyl)-3-(4-hydroxy-3,5-dimethylphenyl)-1-(3-methylphenyl)indol-2-one (CID 58914740) is 3-(5-fluoro-2-hydroxy-4-methylphenyl)-3-(4-hydroxy-3,5-dimethylphenyl)-1-(3-methylphenyl)indol-2-one.
What is the SMILES notation for 3-(5-fluoro-2-hydroxy-4-methylphenyl)-3-(4-hydroxy-3,5-dimethylphenyl)-1-(3-methylphenyl)indol-2-one?
The canonical SMILES for 3-(5-fluoro-2-hydroxy-4-methylphenyl)-3-(4-hydroxy-3,5-dimethylphenyl)-1-(3-methylphenyl)indol-2-one is Cc1cccc(N2C(=O)C(c3cc(C)c(O)c(C)c3)(c3cc(F)c(C)cc3O)c3ccccc32)c1.
What is the InChIKey of 3-(5-fluoro-2-hydroxy-4-methylphenyl)-3-(4-hydroxy-3,5-dimethylphenyl)-1-(3-methylphenyl)indol-2-one?
The InChIKey is DBCMXKXWNYHWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FNO3/c1-17-8-7-9-22(12-17)32-26-11-6-5-10-23(26)30(29(32)35,21-13-19(3)28(34)20(4)14-21)24-16-25(31)18(2)15-27(24)33/h5-16,33-34H,1-4H3.
What are the key properties of 3-(5-fluoro-2-hydroxy-4-methylphenyl)-3-(4-hydroxy-3,5-dimethylphenyl)-1-(3-methylphenyl)indol-2-one?
3-(5-fluoro-2-hydroxy-4-methylphenyl)-3-(4-hydroxy-3,5-dimethylphenyl)-1-(3-methylphenyl)indol-2-one has a molecular weight of 467.54 g/mol, XLogP of 6.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-hydroxy-4-methylphenyl)-3-(4-hydroxy-3,5-dimethylphenyl)-1-(3-methylphenyl)indol-2-one is sourced from PubChem (CID 58914740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).