1-(3-fluorophenyl)-5-phenylmethoxyindole

C21H16FNO — CID 177163801

IUPAC1-(3-fluorophenyl)-5-phenylmethoxyindole
SMILESFc1cccc(-n2ccc3cc(OCc4ccccc4)ccc32)c1
InChIInChI=1S/C21H16FNO/c22-18-7-4-8-19(14-18)23-12-11-17-13-20(9-10-21(17)23)24-15-16-5-2-1-3-6-16/h1-14H,15H2
InChIKeyBFFCXZYMKJYEEZ-UHFFFAOYSA-N
MW317.36 g/mol
LogP5.35
Rot. Bonds4

About 1-(3-fluorophenyl)-5-phenylmethoxyindole

1-(3-fluorophenyl)-5-phenylmethoxyindole (PubChem CID 177163801) has the molecular formula C21H16FNO and a molecular weight of 317.36 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-5-phenylmethoxyindole.

Molecular Properties

Compound Name1-(3-fluorophenyl)-5-phenylmethoxyindole
PubChem CID177163801
Molecular FormulaC21H16FNO
Molecular Weight317.36 g/mol
Exact Mass317.12
IUPAC Name1-(3-fluorophenyl)-5-phenylmethoxyindole
SMILESFc1cccc(-n2ccc3cc(OCc4ccccc4)ccc32)c1
InChIInChI=1S/C21H16FNO/c22-18-7-4-8-19(14-18)23-12-11-17-13-20(9-10-21(17)23)24-15-16-5-2-1-3-6-16/h1-14H,15H2
InChIKeyBFFCXZYMKJYEEZ-UHFFFAOYSA-N
XLogP5.35
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.36
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-fluorophenyl)-5-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

1-phenyl-6-phenylmethoxyindole
CID 22049132
(2S,3S)-3-(3-fluorophenyl)-3-(5-phenylmethoxyindol-1-yl)propane-1,2-diol
CID 69159890
[3-(5-fluoroindol-1-yl)phenyl]methanol
CID 18385130
methyl 2-(5-phenylmethoxyindol-1-yl)pyridine-4-carboxylate
CID 177163804
ethane;1-(2-phenylethyl)-5-phenylmethoxyindole
CID 145371075
3-(5-phenylmethoxyindol-1-yl)propanoic acid
CID 22570271
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453
5-(3-bromopropoxy)-1-(4-fluorophenyl)indole
CID 18679464
5-fluoro-2-methyl-1-(4-phenylmethoxyphenyl)indole
CID 69299373
3-(5-fluoroindol-1-yl)benzoic acid
CID 18385061
methyl 2-(5-phenylmethoxyindol-1-yl)acetate
CID 20770836
1-[(3-fluorophenyl)methyl]-5-propoxyindole
CID 116625580

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-5-phenylmethoxyindole?
The IUPAC name of 1-(3-fluorophenyl)-5-phenylmethoxyindole (CID 177163801) is 1-(3-fluorophenyl)-5-phenylmethoxyindole.
What is the SMILES notation for 1-(3-fluorophenyl)-5-phenylmethoxyindole?
The canonical SMILES for 1-(3-fluorophenyl)-5-phenylmethoxyindole is Fc1cccc(-n2ccc3cc(OCc4ccccc4)ccc32)c1.
What is the InChIKey of 1-(3-fluorophenyl)-5-phenylmethoxyindole?
The InChIKey is BFFCXZYMKJYEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNO/c22-18-7-4-8-19(14-18)23-12-11-17-13-20(9-10-21(17)23)24-15-16-5-2-1-3-6-16/h1-14H,15H2.
What are the key properties of 1-(3-fluorophenyl)-5-phenylmethoxyindole?
1-(3-fluorophenyl)-5-phenylmethoxyindole has a molecular weight of 317.36 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-5-phenylmethoxyindole is sourced from PubChem (CID 177163801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).