6-fluoro-1-methyl-3-(phenoxymethyl)indole

C16H14FNO — CID 117178420

IUPAC6-fluoro-1-methyl-3-(phenoxymethyl)indole
SMILESCn1cc(COc2ccccc2)c2ccc(F)cc21
InChIInChI=1S/C16H14FNO/c1-18-10-12(11-19-14-5-3-2-4-6-14)15-8-7-13(17)9-16(15)18/h2-10H,11H2,1H3
InChIKeyPPOCOZCCBYXDIY-UHFFFAOYSA-N
MW255.29 g/mol
LogP3.90
Rot. Bonds3

About 6-fluoro-1-methyl-3-(phenoxymethyl)indole

6-fluoro-1-methyl-3-(phenoxymethyl)indole (PubChem CID 117178420) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is 6-fluoro-1-methyl-3-(phenoxymethyl)indole.

Molecular Properties

Compound Name6-fluoro-1-methyl-3-(phenoxymethyl)indole
PubChem CID117178420
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name6-fluoro-1-methyl-3-(phenoxymethyl)indole
SMILESCn1cc(COc2ccccc2)c2ccc(F)cc21
InChIInChI=1S/C16H14FNO/c1-18-10-12(11-19-14-5-3-2-4-6-14)15-8-7-13(17)9-16(15)18/h2-10H,11H2,1H3
InChIKeyPPOCOZCCBYXDIY-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

6-fluoro-1-methyl-3-[(4-methylphenoxy)methyl]indole
CID 117178524
6-chloro-3-[(4-chlorophenoxy)methyl]-1-methylindole
CID 117178543
4-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol
CID 117179041
6-fluoro-3-[(3-methoxyphenoxy)methyl]-1-propan-2-ylindole
CID 117179005
1-methyl-3-(pyridin-3-yloxymethyl)indole-6-carboxylic acid
CID 117178708
3-[(3-methoxyphenoxy)methyl]-1-methylindole-6-carboxylic acid
CID 117178696
1-methyl-3-[(4-methylphenoxy)methyl]indole-6-carboxylic acid
CID 117178698
2-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol
CID 117178967
3-[(4-chlorophenoxy)methyl]-1-methylindole-6-carboxylic acid
CID 117178702
4-[[6-(aminomethyl)-1-methylindol-3-yl]methoxy]phenol
CID 117178289
methyl 2-[(6-fluoro-1-methylindol-3-yl)methyl]benzoate
CID 176550674
3-[(3-fluorophenoxy)methyl]-1-methylindol-4-amine
CID 117171340

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-methyl-3-(phenoxymethyl)indole?
The IUPAC name of 6-fluoro-1-methyl-3-(phenoxymethyl)indole (CID 117178420) is 6-fluoro-1-methyl-3-(phenoxymethyl)indole.
What is the SMILES notation for 6-fluoro-1-methyl-3-(phenoxymethyl)indole?
The canonical SMILES for 6-fluoro-1-methyl-3-(phenoxymethyl)indole is Cn1cc(COc2ccccc2)c2ccc(F)cc21.
What is the InChIKey of 6-fluoro-1-methyl-3-(phenoxymethyl)indole?
The InChIKey is PPOCOZCCBYXDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO/c1-18-10-12(11-19-14-5-3-2-4-6-14)15-8-7-13(17)9-16(15)18/h2-10H,11H2,1H3.
What are the key properties of 6-fluoro-1-methyl-3-(phenoxymethyl)indole?
6-fluoro-1-methyl-3-(phenoxymethyl)indole 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 6-fluoro-1-methyl-3-(phenoxymethyl)indole is sourced from PubChem (CID 117178420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).