1-[(2,4-difluorophenyl)methyl]-3,3-bis(4-hydroxy-3,5-dimethylphenyl)indol-2-one

C31H27F2NO3 — CID 10152326

IUPAC1-[(2,4-difluorophenyl)methyl]-3,3-bis(4-hydroxy-3,5-dimethylphenyl)indol-2-one
SMILESCc1cc(C2(c3cc(C)c(O)c(C)c3)C(=O)N(Cc3ccc(F)cc3F)c3ccccc32)cc(C)c1O
InChIInChI=1S/C31H27F2NO3/c1-17-11-22(12-18(2)28(17)35)31(23-13-19(3)29(36)20(4)14-23)25-7-5-6-8-27(25)34(30(31)37)16-21-9-10-24(32)15-26(21)33/h5-15,35-36H,16H2,1-4H3
InChIKeyIDPQSUCGUDGZCO-UHFFFAOYSA-N
MW499.56 g/mol
LogP6.49
Rot. Bonds4

About 1-[(2,4-difluorophenyl)methyl]-3,3-bis(4-hydroxy-3,5-dimethylphenyl)indol-2-one

1-[(2,4-difluorophenyl)methyl]-3,3-bis(4-hydroxy-3,5-dimethylphenyl)indol-2-one (PubChem CID 10152326) has the molecular formula C31H27F2NO3 and a molecular weight of 499.56 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-3,3-bis(4-hydroxy-3,5-dimethylphenyl)indol-2-one.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-3,3-bis(4-hydroxy-3,5-dimethylphenyl)indol-2-one
PubChem CID10152326
Molecular FormulaC31H27F2NO3
Molecular Weight499.56 g/mol
Exact Mass499.20
IUPAC Name1-[(2,4-difluorophenyl)methyl]-3,3-bis(4-hydroxy-3,5-dimethylphenyl)indol-2-one
SMILESCc1cc(C2(c3cc(C)c(O)c(C)c3)C(=O)N(Cc3ccc(F)cc3F)c3ccccc32)cc(C)c1O
InChIInChI=1S/C31H27F2NO3/c1-17-11-22(12-18(2)28(17)35)31(23-13-19(3)29(36)20(4)14-23)25-7-5-6-8-27(25)34(30(31)37)16-21-9-10-24(32)15-26(21)33/h5-15,35-36H,16H2,1-4H3
InChIKeyIDPQSUCGUDGZCO-UHFFFAOYSA-N
XLogP6.49
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.56
LogP ≤ 56.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2,4-difluorophenyl)methyl]-3,3-bis(4-hydroxy-3,5-dimethylphenyl)indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-3,3-bis(4-hydroxy-3-methylphenyl)indol-2-one
CID 2802496
1-[(2-chlorophenyl)methyl]-3-(4-hydroxy-3,5-dimethylphenyl)-3-(3-hydroxypropyl)indol-2-one
CID 58914709
1-[4-[3,3-bis(4-hydroxyphenyl)-2-oxoindol-1-yl]butyl]-3,3-bis(4-hydroxyphenyl)indol-2-one
CID 169008050
1'-[(2,4-difluorophenyl)methyl]-N-(3-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016675
3-(5-fluoro-2-hydroxy-4-methylphenyl)-3-(4-hydroxy-3,5-dimethylphenyl)-1-(3-methylphenyl)indol-2-one
CID 58914740
2-[(3R)-1'-[(2,4-difluorophenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 95719767
1-[(2,4-difluorophenyl)methyl]-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 115947831
3-[2-(4-fluorophenyl)ethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one
CID 138623779
N-cyclohexyl-1'-[(2,4-difluorophenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016679
(2S)-2-[(5S)-1-[(2,4-difluorophenyl)methyl]-2-oxo-5-phenyl-3,4-dihydro-1,4-benzodiazepin-5-yl]-2-(4,6-dimethylpyrimidin-2-yl)oxyacetic acid
CID 10187313
2-[(3R)-1-[(4-cyano-2-fluorophenyl)methyl]-3-methyl-2-oxoindol-3-yl]acetic acid
CID 175381864
1'-[(2,4-difluorophenyl)methyl]-5'-fluoro-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 42839230

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-3,3-bis(4-hydroxy-3,5-dimethylphenyl)indol-2-one?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-3,3-bis(4-hydroxy-3,5-dimethylphenyl)indol-2-one (CID 10152326) is 1-[(2,4-difluorophenyl)methyl]-3,3-bis(4-hydroxy-3,5-dimethylphenyl)indol-2-one.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-3,3-bis(4-hydroxy-3,5-dimethylphenyl)indol-2-one?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-3,3-bis(4-hydroxy-3,5-dimethylphenyl)indol-2-one is Cc1cc(C2(c3cc(C)c(O)c(C)c3)C(=O)N(Cc3ccc(F)cc3F)c3ccccc32)cc(C)c1O.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-3,3-bis(4-hydroxy-3,5-dimethylphenyl)indol-2-one?
The InChIKey is IDPQSUCGUDGZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27F2NO3/c1-17-11-22(12-18(2)28(17)35)31(23-13-19(3)29(36)20(4)14-23)25-7-5-6-8-27(25)34(30(31)37)16-21-9-10-24(32)15-26(21)33/h5-15,35-36H,16H2,1-4H3.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-3,3-bis(4-hydroxy-3,5-dimethylphenyl)indol-2-one?
1-[(2,4-difluorophenyl)methyl]-3,3-bis(4-hydroxy-3,5-dimethylphenyl)indol-2-one has a molecular weight of 499.56 g/mol, XLogP of 6.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-3,3-bis(4-hydroxy-3,5-dimethylphenyl)indol-2-one is sourced from PubChem (CID 10152326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).