2-[4-[1-(4-fluorophenyl)-4-hydroxy-2-(oxan-4-yl)indol-3-yl]phenyl]acetic acid

C27H24FNO4 — CID 156878726

IUPAC2-[4-[1-(4-fluorophenyl)-4-hydroxy-2-(oxan-4-yl)indol-3-yl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cccc(O)c23)cc1
InChIInChI=1S/C27H24FNO4/c28-20-8-10-21(11-9-20)29-22-2-1-3-23(30)26(22)25(27(29)19-12-14-33-15-13-19)18-6-4-17(5-7-18)16-24(31)32/h1-11,19,30H,12-16H2,(H,31,32)
InChIKeyKJLGWGIEHPIABP-UHFFFAOYSA-N
MW445.49 g/mol
LogP5.66
Rot. Bonds5

About 2-[4-[1-(4-fluorophenyl)-4-hydroxy-2-(oxan-4-yl)indol-3-yl]phenyl]acetic acid

2-[4-[1-(4-fluorophenyl)-4-hydroxy-2-(oxan-4-yl)indol-3-yl]phenyl]acetic acid (PubChem CID 156878726) has the molecular formula C27H24FNO4 and a molecular weight of 445.49 g/mol. Its IUPAC name is 2-[4-[1-(4-fluorophenyl)-4-hydroxy-2-(oxan-4-yl)indol-3-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[1-(4-fluorophenyl)-4-hydroxy-2-(oxan-4-yl)indol-3-yl]phenyl]acetic acid
PubChem CID156878726
Molecular FormulaC27H24FNO4
Molecular Weight445.49 g/mol
Exact Mass445.17
IUPAC Name2-[4-[1-(4-fluorophenyl)-4-hydroxy-2-(oxan-4-yl)indol-3-yl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cccc(O)c23)cc1
InChIInChI=1S/C27H24FNO4/c28-20-8-10-21(11-9-20)29-22-2-1-3-23(30)26(22)25(27(29)19-12-14-33-15-13-19)18-6-4-17(5-7-18)16-24(31)32/h1-11,19,30H,12-16H2,(H,31,32)
InChIKeyKJLGWGIEHPIABP-UHFFFAOYSA-N
XLogP5.66
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.49
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[1-(4-fluorophenyl)-4-hydroxy-2-(oxan-4-yl)indol-3-yl]phenyl]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

4-[1-(4-Fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]benzoic acid
CID 156877147
3-[4-Fluoro-1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]cyclobutane-1-carboxylic acid
CID 156877157
Synthesis of 4-(1-(4-fluorophenyl)-5-hydroxy-2-(1-methoxy-2-methylpropan-2-yl)-1H-indol-3-yl)benzoic acid (164)
CID 156877184
4-[1-(4-Fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]-3-methylbenzoic acid
CID 156877398
3-[1-(4-Fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]benzoic acid
CID 156877481
6-[1-(4-Fluorophenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]spiro[3.3]heptane-2-carboxylic acid
CID 156877600
3-[5-(4-fluorophenyl)-1-(3-hydroxyphenyl)-1H-pyrrol-2-yl]propanoic acid
CID 687945
trans-(1S,3S)-3-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]cyclopentane-1-carboxylic acid
CID 156877133
3-[1-(4-Fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]cyclobutane-1-carboxylic acid
CID 156877168
3-[1-(4-Fluoro-3-methylphenyl)-5-hydroxy-2-(oxan-4-yl)indol-3-yl]-1-methylcyclobutane-1-carboxylic acid
CID 156877178
6-(1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-(trifluoromethyl)-1H-indol-3-yl)spiro[3.3]heptane-2-carboxylic acid (150)
CID 156877230
3-[1-(3,4-Difluorophenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]cyclobutane-1-carboxylic acid
CID 156877257

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4-fluorophenyl)-4-hydroxy-2-(oxan-4-yl)indol-3-yl]phenyl]acetic acid?
The IUPAC name of 2-[4-[1-(4-fluorophenyl)-4-hydroxy-2-(oxan-4-yl)indol-3-yl]phenyl]acetic acid (CID 156878726) is 2-[4-[1-(4-fluorophenyl)-4-hydroxy-2-(oxan-4-yl)indol-3-yl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[1-(4-fluorophenyl)-4-hydroxy-2-(oxan-4-yl)indol-3-yl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[1-(4-fluorophenyl)-4-hydroxy-2-(oxan-4-yl)indol-3-yl]phenyl]acetic acid is O=C(O)Cc1ccc(-c2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cccc(O)c23)cc1.
What is the InChIKey of 2-[4-[1-(4-fluorophenyl)-4-hydroxy-2-(oxan-4-yl)indol-3-yl]phenyl]acetic acid?
The InChIKey is KJLGWGIEHPIABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FNO4/c28-20-8-10-21(11-9-20)29-22-2-1-3-23(30)26(22)25(27(29)19-12-14-33-15-13-19)18-6-4-17(5-7-18)16-24(31)32/h1-11,19,30H,12-16H2,(H,31,32).
What are the key properties of 2-[4-[1-(4-fluorophenyl)-4-hydroxy-2-(oxan-4-yl)indol-3-yl]phenyl]acetic acid?
2-[4-[1-(4-fluorophenyl)-4-hydroxy-2-(oxan-4-yl)indol-3-yl]phenyl]acetic acid has a molecular weight of 445.49 g/mol, XLogP of 5.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4-fluorophenyl)-4-hydroxy-2-(oxan-4-yl)indol-3-yl]phenyl]acetic acid is sourced from PubChem (CID 156878726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).