2-[[7-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-1-methyl-2,3-dihydro-1H-inden-4-yl]oxy]acetic acid

C22H25FO4 — CID 162522393

IUPAC2-[[7-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-1-methyl-2,3-dihydro-1H-inden-4-yl]oxy]acetic acid
SMILESCC(C)c1c(O)ccc(Cc2ccc(OCC(=O)O)c3c2C(C)CC3)c1F
InChIInChI=1S/C22H25FO4/c1-12(2)20-17(24)8-5-15(22(20)23)10-14-6-9-18(27-11-19(25)26)16-7-4-13(3)21(14)16/h5-6,8-9,12-13,24H,4,7,10-11H2,1-3H3,(H,25,26)
InChIKeyJYHOVGBTZFYXKT-UHFFFAOYSA-N
MW372.44 g/mol
LogP4.76
Rot. Bonds6

About 2-[[7-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-1-methyl-2,3-dihydro-1H-inden-4-yl]oxy]acetic acid

2-[[7-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-1-methyl-2,3-dihydro-1H-inden-4-yl]oxy]acetic acid (PubChem CID 162522393) has the molecular formula C22H25FO4 and a molecular weight of 372.44 g/mol. Its IUPAC name is 2-[[7-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-1-methyl-2,3-dihydro-1H-inden-4-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[7-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-1-methyl-2,3-dihydro-1H-inden-4-yl]oxy]acetic acid
PubChem CID162522393
Molecular FormulaC22H25FO4
Molecular Weight372.44 g/mol
Exact Mass372.17
IUPAC Name2-[[7-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-1-methyl-2,3-dihydro-1H-inden-4-yl]oxy]acetic acid
SMILESCC(C)c1c(O)ccc(Cc2ccc(OCC(=O)O)c3c2C(C)CC3)c1F
InChIInChI=1S/C22H25FO4/c1-12(2)20-17(24)8-5-15(22(20)23)10-14-6-9-18(27-11-19(25)26)16-7-4-13(3)21(14)16/h5-6,8-9,12-13,24H,4,7,10-11H2,1-3H3,(H,25,26)
InChIKeyJYHOVGBTZFYXKT-UHFFFAOYSA-N
XLogP4.76
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[7-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-1-methyl-2,3-dihydro-1H-inden-4-yl]oxy]acetic acid 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

2-[5-chloro-2-fluoro-4-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]phenoxy]-N,N-dimethylacetamide
CID 162522452
2-[(5-hydroxy-2-bicyclo[4.2.0]octa-1,3,5-trienyl)oxy]acetic acid
CID 54098560
2-[3,5-dichloro-4-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]phenyl]sulfanylacetic acid
CID 162522625
2-[4-chloro-2-[(4-chloro-2-hydroxyphenyl)methyl]phenoxy]acetic acid
CID 69118840
2-[[(5S,6S)-5-hydroxy-6-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 173335440
4-fluoro-3-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2,7-diol
CID 169128255
2-[(5-ethyl-6-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetic acid
CID 173335442
2-[2-(carboxymethoxy)-4-propan-2-ylphenoxy]acetic acid
CID 20697686
2-[(5-ethyl-5,6-dihydroxy-7,8-dihydro-6H-naphthalen-1-yl)oxy]acetic acid
CID 173335438
2-[(7b-ethyl-1,1a,2,3-tetrahydrocyclopropa[a]naphthalen-4-yl)oxy]acetic acid
CID 173335444
2-(2,3-dichloro-4-hydroxyphenoxy)acetic acid
CID 14496899
3,4-difluoro-2-propan-2-ylphenol
CID 130384199

Frequently Asked Questions

What is the IUPAC name of 2-[[7-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-1-methyl-2,3-dihydro-1H-inden-4-yl]oxy]acetic acid?
The IUPAC name of 2-[[7-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-1-methyl-2,3-dihydro-1H-inden-4-yl]oxy]acetic acid (CID 162522393) is 2-[[7-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-1-methyl-2,3-dihydro-1H-inden-4-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[7-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-1-methyl-2,3-dihydro-1H-inden-4-yl]oxy]acetic acid?
The canonical SMILES for 2-[[7-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-1-methyl-2,3-dihydro-1H-inden-4-yl]oxy]acetic acid is CC(C)c1c(O)ccc(Cc2ccc(OCC(=O)O)c3c2C(C)CC3)c1F.
What is the InChIKey of 2-[[7-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-1-methyl-2,3-dihydro-1H-inden-4-yl]oxy]acetic acid?
The InChIKey is JYHOVGBTZFYXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FO4/c1-12(2)20-17(24)8-5-15(22(20)23)10-14-6-9-18(27-11-19(25)26)16-7-4-13(3)21(14)16/h5-6,8-9,12-13,24H,4,7,10-11H2,1-3H3,(H,25,26).
What are the key properties of 2-[[7-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-1-methyl-2,3-dihydro-1H-inden-4-yl]oxy]acetic acid?
2-[[7-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-1-methyl-2,3-dihydro-1H-inden-4-yl]oxy]acetic acid has a molecular weight of 372.44 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-1-methyl-2,3-dihydro-1H-inden-4-yl]oxy]acetic acid is sourced from PubChem (CID 162522393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).