2-(4-fluorophenyl)-6-phenylmethoxy-1H-indole

C21H16FNO — CID 44553261

IUPAC2-(4-fluorophenyl)-6-phenylmethoxy-1H-indole
SMILESFc1ccc(-c2cc3ccc(OCc4ccccc4)cc3[nH]2)cc1
InChIInChI=1S/C21H16FNO/c22-18-9-6-16(7-10-18)20-12-17-8-11-19(13-21(17)23-20)24-14-15-4-2-1-3-5-15/h1-13,23H,14H2
InChIKeyIIGZTOMEKXDQPT-UHFFFAOYSA-N
MW317.36 g/mol
LogP5.55
Rot. Bonds4

About 2-(4-fluorophenyl)-6-phenylmethoxy-1H-indole

2-(4-fluorophenyl)-6-phenylmethoxy-1H-indole (PubChem CID 44553261) has the molecular formula C21H16FNO and a molecular weight of 317.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-phenylmethoxy-1H-indole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-phenylmethoxy-1H-indole
PubChem CID44553261
Molecular FormulaC21H16FNO
Molecular Weight317.36 g/mol
Exact Mass317.12
IUPAC Name2-(4-fluorophenyl)-6-phenylmethoxy-1H-indole
SMILESFc1ccc(-c2cc3ccc(OCc4ccccc4)cc3[nH]2)cc1
InChIInChI=1S/C21H16FNO/c22-18-9-6-16(7-10-18)20-12-17-8-11-19(13-21(17)23-20)24-14-15-4-2-1-3-5-15/h1-13,23H,14H2
InChIKeyIIGZTOMEKXDQPT-UHFFFAOYSA-N
XLogP5.55
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.36
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453
1-fluoro-4-(phenoxymethyl)benzene
CID 957495
5-phenylmethoxy-2-pyridin-2-yl-1H-indole
CID 44556831
4-(6-fluoro-1H-indol-2-yl)aniline
CID 71602423
(6-phenylmethoxy-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 47839341
4-[2-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]pyridine
CID 67791490
2-(4-fluorophenoxy)-N-[4-(1H-indol-2-yl)phenyl]acetamide
CID 46334514
3-fluoro-5-(4-phenylmethoxyphenyl)phenol
CID 53219757
6-(dimethylamino)-2-(4-phenylmethoxyphenyl)-1H-quinolin-4-one
CID 66659280
2-bromo-6-phenylmethoxynaphthalene
CID 640595
2-chloro-6-phenylmethoxynaphthalene
CID 125116795
[3,5-difluoro-4-(4-phenylmethoxyphenyl)phenyl]methanol;ethanol
CID 70007811

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-phenylmethoxy-1H-indole?
The IUPAC name of 2-(4-fluorophenyl)-6-phenylmethoxy-1H-indole (CID 44553261) is 2-(4-fluorophenyl)-6-phenylmethoxy-1H-indole.
What is the SMILES notation for 2-(4-fluorophenyl)-6-phenylmethoxy-1H-indole?
The canonical SMILES for 2-(4-fluorophenyl)-6-phenylmethoxy-1H-indole is Fc1ccc(-c2cc3ccc(OCc4ccccc4)cc3[nH]2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-6-phenylmethoxy-1H-indole?
The InChIKey is IIGZTOMEKXDQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNO/c22-18-9-6-16(7-10-18)20-12-17-8-11-19(13-21(17)23-20)24-14-15-4-2-1-3-5-15/h1-13,23H,14H2.
What are the key properties of 2-(4-fluorophenyl)-6-phenylmethoxy-1H-indole?
2-(4-fluorophenyl)-6-phenylmethoxy-1H-indole has a molecular weight of 317.36 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-phenylmethoxy-1H-indole is sourced from PubChem (CID 44553261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).