5-fluoro-2-methyl-1-(4-phenylmethoxyphenyl)indole

C22H18FNO — CID 69299373

IUPAC5-fluoro-2-methyl-1-(4-phenylmethoxyphenyl)indole
SMILESCc1cc2cc(F)ccc2n1-c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H18FNO/c1-16-13-18-14-19(23)7-12-22(18)24(16)20-8-10-21(11-9-20)25-15-17-5-3-2-4-6-17/h2-14H,15H2,1H3
InChIKeyDSGVDDFUGARSQB-UHFFFAOYSA-N
MW331.39 g/mol
LogP5.66
Rot. Bonds4

About 5-fluoro-2-methyl-1-(4-phenylmethoxyphenyl)indole

5-fluoro-2-methyl-1-(4-phenylmethoxyphenyl)indole (PubChem CID 69299373) has the molecular formula C22H18FNO and a molecular weight of 331.39 g/mol. Its IUPAC name is 5-fluoro-2-methyl-1-(4-phenylmethoxyphenyl)indole.

Molecular Properties

Compound Name5-fluoro-2-methyl-1-(4-phenylmethoxyphenyl)indole
PubChem CID69299373
Molecular FormulaC22H18FNO
Molecular Weight331.39 g/mol
Exact Mass331.14
IUPAC Name5-fluoro-2-methyl-1-(4-phenylmethoxyphenyl)indole
SMILESCc1cc2cc(F)ccc2n1-c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H18FNO/c1-16-13-18-14-19(23)7-12-22(18)24(16)20-8-10-21(11-9-20)25-15-17-5-3-2-4-6-17/h2-14H,15H2,1H3
InChIKeyDSGVDDFUGARSQB-UHFFFAOYSA-N
XLogP5.66
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.39
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;methanol;[5-phenylmethoxy-1-[4-(trifluoromethyl)phenyl]indol-2-yl]methanol
CID 143113738
1-ethyl-5-fluoro-2-(phenoxymethyl)indole
CID 117177203
1-(3-fluorophenyl)-5-phenylmethoxyindole
CID 177163801
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
1-fluoro-4-(phenoxymethyl)benzene
CID 957495
3-methyl-4-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 2735500
[1-(benzenesulfonyl)-5-fluoroindol-2-yl]-[1-(benzenesulfonyl)-5-phenylmethoxyindol-2-yl]methanone
CID 11513080
2,5-dimethyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole
CID 16659553
1-ethyl-5-fluoro-2-[(4-fluorophenoxy)methyl]indole
CID 117177295
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
5-fluoro-1-[(4-methoxyphenyl)methyl]-2-methylindole
CID 174227358
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-1-(4-phenylmethoxyphenyl)indole?
The IUPAC name of 5-fluoro-2-methyl-1-(4-phenylmethoxyphenyl)indole (CID 69299373) is 5-fluoro-2-methyl-1-(4-phenylmethoxyphenyl)indole.
What is the SMILES notation for 5-fluoro-2-methyl-1-(4-phenylmethoxyphenyl)indole?
The canonical SMILES for 5-fluoro-2-methyl-1-(4-phenylmethoxyphenyl)indole is Cc1cc2cc(F)ccc2n1-c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 5-fluoro-2-methyl-1-(4-phenylmethoxyphenyl)indole?
The InChIKey is DSGVDDFUGARSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO/c1-16-13-18-14-19(23)7-12-22(18)24(16)20-8-10-21(11-9-20)25-15-17-5-3-2-4-6-17/h2-14H,15H2,1H3.
What are the key properties of 5-fluoro-2-methyl-1-(4-phenylmethoxyphenyl)indole?
5-fluoro-2-methyl-1-(4-phenylmethoxyphenyl)indole has a molecular weight of 331.39 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-1-(4-phenylmethoxyphenyl)indole is sourced from PubChem (CID 69299373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).