4-fluoro-1-methyl-5-phenylmethoxyindole

C16H14FNO — CID 71034305

IUPAC4-fluoro-1-methyl-5-phenylmethoxyindole
SMILESCn1ccc2c(F)c(OCc3ccccc3)ccc21
InChIInChI=1S/C16H14FNO/c1-18-10-9-13-14(18)7-8-15(16(13)17)19-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyJGOZTNNGIDNFLM-UHFFFAOYSA-N
MW255.29 g/mol
LogP3.90
Rot. Bonds3

About 4-fluoro-1-methyl-5-phenylmethoxyindole

4-fluoro-1-methyl-5-phenylmethoxyindole (PubChem CID 71034305) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is 4-fluoro-1-methyl-5-phenylmethoxyindole.

Molecular Properties

Compound Name4-fluoro-1-methyl-5-phenylmethoxyindole
PubChem CID71034305
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name4-fluoro-1-methyl-5-phenylmethoxyindole
SMILESCn1ccc2c(F)c(OCc3ccccc3)ccc21
InChIInChI=1S/C16H14FNO/c1-18-10-9-13-14(18)7-8-15(16(13)17)19-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyJGOZTNNGIDNFLM-UHFFFAOYSA-N
XLogP3.90
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,7-dimethyl-4-phenylmethoxyindole
CID 176638062
2,3-difluoro-1-methyl-4-phenylmethoxybenzene
CID 57470603
4,5-difluoro-1-methylindole
CID 126599832
1,3-difluoro-2-methylsulfanyl-4-phenylmethoxybenzene
CID 164892505
4-fluoro-1-(4-fluoro-3-methylphenyl)-5-phenylmethoxy-2-propan-2-ylindole
CID 156877587
1,3-dimethyl-4-phenylmethoxypyridin-2-one;ethane
CID 156637776
1-benzyl-6-fluoro-4-phenylmethoxyindole
CID 141202922
1-ethyl-4-phenylmethoxyindole
CID 24776902
2-(3-fluoro-2-methyl-4-phenylmethoxyphenyl)acetic acid
CID 166161146
2-fluoro-6-methyl-3-phenylmethoxybenzoic acid
CID 67053712
1-ethenyl-2,3-difluoro-4-phenylmethoxybenzene
CID 172563052
1,2-difluoro-3-methylsulfanyl-4-phenylmethoxybenzene
CID 171368097

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methyl-5-phenylmethoxyindole?
The IUPAC name of 4-fluoro-1-methyl-5-phenylmethoxyindole (CID 71034305) is 4-fluoro-1-methyl-5-phenylmethoxyindole.
What is the SMILES notation for 4-fluoro-1-methyl-5-phenylmethoxyindole?
The canonical SMILES for 4-fluoro-1-methyl-5-phenylmethoxyindole is Cn1ccc2c(F)c(OCc3ccccc3)ccc21.
What is the InChIKey of 4-fluoro-1-methyl-5-phenylmethoxyindole?
The InChIKey is JGOZTNNGIDNFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO/c1-18-10-9-13-14(18)7-8-15(16(13)17)19-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3.
What are the key properties of 4-fluoro-1-methyl-5-phenylmethoxyindole?
4-fluoro-1-methyl-5-phenylmethoxyindole has a molecular weight of 255.29 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-5-phenylmethoxyindole is sourced from PubChem (CID 71034305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).