5-fluoro-1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)-4-phenylmethoxyindole

C27H25F2NO2 — CID 156878900

IUPAC5-fluoro-1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)-4-phenylmethoxyindole
SMILESCc1cc(-n2c(C3CCOCC3)cc3c(OCc4ccccc4)c(F)ccc32)ccc1F
InChIInChI=1S/C27H25F2NO2/c1-18-15-21(7-8-23(18)28)30-25-10-9-24(29)27(32-17-19-5-3-2-4-6-19)22(25)16-26(30)20-11-13-31-14-12-20/h2-10,15-16,20H,11-14,17H2,1H3
InChIKeyYYDDTAHYLRJSIQ-UHFFFAOYSA-N
MW433.50 g/mol
LogP6.69
Rot. Bonds5

About 5-fluoro-1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)-4-phenylmethoxyindole

5-fluoro-1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)-4-phenylmethoxyindole (PubChem CID 156878900) has the molecular formula C27H25F2NO2 and a molecular weight of 433.50 g/mol. Its IUPAC name is 5-fluoro-1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)-4-phenylmethoxyindole.

Molecular Properties

Compound Name5-fluoro-1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)-4-phenylmethoxyindole
PubChem CID156878900
Molecular FormulaC27H25F2NO2
Molecular Weight433.50 g/mol
Exact Mass433.19
IUPAC Name5-fluoro-1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)-4-phenylmethoxyindole
SMILESCc1cc(-n2c(C3CCOCC3)cc3c(OCc4ccccc4)c(F)ccc32)ccc1F
InChIInChI=1S/C27H25F2NO2/c1-18-15-21(7-8-23(18)28)30-25-10-9-24(29)27(32-17-19-5-3-2-4-6-19)22(25)16-26(30)20-11-13-31-14-12-20/h2-10,15-16,20H,11-14,17H2,1H3
InChIKeyYYDDTAHYLRJSIQ-UHFFFAOYSA-N
XLogP6.69
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.50
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)-4-phenylmethoxyindole 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

5-fluoro-1-(4-fluoro-3-methylphenyl)-3-iodo-2-(oxan-4-yl)-4-phenylmethoxyindole
CID 166558922
dimethyl 3-[1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)-5-phenylmethoxyindol-3-yl]cyclobutane-1,1-dicarboxylate
CID 156877477
6-fluoro-1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)indol-4-ol
CID 156879129
methyl 3-[1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)-5-phenylmethoxyindol-3-yl]-1-formylcyclobutane-1-carboxylate
CID 156877226
4-fluoro-1-(4-fluoro-3-methylphenyl)-5-phenylmethoxy-2-propan-2-ylindole
CID 156877587
1-[3-(difluoromethyl)-4-fluorophenyl]-3-methyl-2-(oxan-4-yl)-4-phenylmethoxyindole
CID 156879230
1-(4-fluoro-3-methylphenyl)-3-iodo-5-(methoxymethoxy)-2-(oxan-4-yl)indole
CID 156877336
1-[3-(difluoromethyl)-4-fluorophenyl]-3-methyl-2-(oxan-4-yl)-4-phenylmethoxyindole;ethane
CID 156879229
3-[1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)indol-3-yl]-1-methylcyclobutane-1-carboxylic acid
CID 156877215
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
6-chloro-1-(3,4-difluorophenyl)-4-(methoxymethoxy)-2-(oxan-4-yl)indole;ethane
CID 156878683
3-[5-fluoro-1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)indol-3-yl]benzoic acid
CID 156879244

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)-4-phenylmethoxyindole?
The IUPAC name of 5-fluoro-1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)-4-phenylmethoxyindole (CID 156878900) is 5-fluoro-1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)-4-phenylmethoxyindole.
What is the SMILES notation for 5-fluoro-1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)-4-phenylmethoxyindole?
The canonical SMILES for 5-fluoro-1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)-4-phenylmethoxyindole is Cc1cc(-n2c(C3CCOCC3)cc3c(OCc4ccccc4)c(F)ccc32)ccc1F.
What is the InChIKey of 5-fluoro-1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)-4-phenylmethoxyindole?
The InChIKey is YYDDTAHYLRJSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2NO2/c1-18-15-21(7-8-23(18)28)30-25-10-9-24(29)27(32-17-19-5-3-2-4-6-19)22(25)16-26(30)20-11-13-31-14-12-20/h2-10,15-16,20H,11-14,17H2,1H3.
What are the key properties of 5-fluoro-1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)-4-phenylmethoxyindole?
5-fluoro-1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)-4-phenylmethoxyindole has a molecular weight of 433.50 g/mol, XLogP of 6.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)-4-phenylmethoxyindole is sourced from PubChem (CID 156878900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).