2-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-methylindol-3-yl]butanoic acid

C20H20FNO3 — CID 156877319

IUPAC2-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-methylindol-3-yl]butanoic acid
SMILESCCC(C(=O)O)c1c(C)n(-c2ccc(F)c(C)c2)c2ccc(O)cc12
InChIInChI=1S/C20H20FNO3/c1-4-15(20(24)25)19-12(3)22(13-5-7-17(21)11(2)9-13)18-8-6-14(23)10-16(18)19/h5-10,15,23H,4H2,1-3H3,(H,24,25)
InChIKeyJYTSNBCCWFVWSL-UHFFFAOYSA-N
MW341.38 g/mol
LogP4.67
Rot. Bonds4

About 2-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-methylindol-3-yl]butanoic acid

2-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-methylindol-3-yl]butanoic acid (PubChem CID 156877319) has the molecular formula C20H20FNO3 and a molecular weight of 341.38 g/mol. Its IUPAC name is 2-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-methylindol-3-yl]butanoic acid.

Molecular Properties

Compound Name2-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-methylindol-3-yl]butanoic acid
PubChem CID156877319
Molecular FormulaC20H20FNO3
Molecular Weight341.38 g/mol
Exact Mass341.14
IUPAC Name2-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-methylindol-3-yl]butanoic acid
SMILESCCC(C(=O)O)c1c(C)n(-c2ccc(F)c(C)c2)c2ccc(O)cc12
InChIInChI=1S/C20H20FNO3/c1-4-15(20(24)25)19-12(3)22(13-5-7-17(21)11(2)9-13)18-8-6-14(23)10-16(18)19/h5-10,15,23H,4H2,1-3H3,(H,24,25)
InChIKeyJYTSNBCCWFVWSL-UHFFFAOYSA-N
XLogP4.67
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]ethyl]-3-methylcyclobutane-1-carboxylic acid
CID 156877275
1-(4-fluoro-3-methylphenyl)-2-propan-2-ylindol-5-ol
CID 156877251
2-[1-(3,4-difluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]pentanamide
CID 91536323
1-(4-fluoro-3-methylphenyl)-3-[3-(hydroxymethyl)cyclobutyl]-2-propan-2-ylindol-5-ol
CID 156877324
ethyl 1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-[(2R)-oxolan-2-yl]indole-3-carboxylate
CID 156877201
2-(2,3,5,6-tetrafluorophenyl)butanoic acid
CID 130134734
4-[[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-(oxan-4-yl)indol-3-yl]methyl]cyclohexane-1-carboxylic acid
CID 156877583
2-[6-fluoro-5-hydroxy-2-methyl-1-(4-methylbenzenecarbothioyl)indol-3-yl]butanoic acid
CID 87990118
3-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]-N-propan-2-ylazetidine-1-sulfonamide
CID 169303411
3-[[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-(oxan-4-yl)indol-3-yl]methyl]bicyclo[1.1.1]pentane-1-carboxylic acid
CID 169303393
1-(4-fluoro-3-methylphenyl)-3-(6-methylspiro[3.3]heptan-2-yl)-2-propan-2-ylindol-5-ol
CID 170338633
2-amino-1-[5-hydroxy-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone
CID 170858004

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-methylindol-3-yl]butanoic acid?
The IUPAC name of 2-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-methylindol-3-yl]butanoic acid (CID 156877319) is 2-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-methylindol-3-yl]butanoic acid.
What is the SMILES notation for 2-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-methylindol-3-yl]butanoic acid?
The canonical SMILES for 2-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-methylindol-3-yl]butanoic acid is CCC(C(=O)O)c1c(C)n(-c2ccc(F)c(C)c2)c2ccc(O)cc12.
What is the InChIKey of 2-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-methylindol-3-yl]butanoic acid?
The InChIKey is JYTSNBCCWFVWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO3/c1-4-15(20(24)25)19-12(3)22(13-5-7-17(21)11(2)9-13)18-8-6-14(23)10-16(18)19/h5-10,15,23H,4H2,1-3H3,(H,24,25).
What are the key properties of 2-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-methylindol-3-yl]butanoic acid?
2-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-methylindol-3-yl]butanoic acid has a molecular weight of 341.38 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-methylindol-3-yl]butanoic acid is sourced from PubChem (CID 156877319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).