6-fluoro-1-methyl-3-[(4-methylphenoxy)methyl]indole

C17H16FNO — CID 117178524

IUPAC6-fluoro-1-methyl-3-[(4-methylphenoxy)methyl]indole
SMILESCc1ccc(OCc2cn(C)c3cc(F)ccc23)cc1
InChIInChI=1S/C17H16FNO/c1-12-3-6-15(7-4-12)20-11-13-10-19(2)17-9-14(18)5-8-16(13)17/h3-10H,11H2,1-2H3
InChIKeyBCDULOSAHZCEDZ-UHFFFAOYSA-N
MW269.32 g/mol
LogP4.20
Rot. Bonds3

About 6-fluoro-1-methyl-3-[(4-methylphenoxy)methyl]indole

6-fluoro-1-methyl-3-[(4-methylphenoxy)methyl]indole (PubChem CID 117178524) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is 6-fluoro-1-methyl-3-[(4-methylphenoxy)methyl]indole.

Molecular Properties

Compound Name6-fluoro-1-methyl-3-[(4-methylphenoxy)methyl]indole
PubChem CID117178524
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name6-fluoro-1-methyl-3-[(4-methylphenoxy)methyl]indole
SMILESCc1ccc(OCc2cn(C)c3cc(F)ccc23)cc1
InChIInChI=1S/C17H16FNO/c1-12-3-6-15(7-4-12)20-11-13-10-19(2)17-9-14(18)5-8-16(13)17/h3-10H,11H2,1-2H3
InChIKeyBCDULOSAHZCEDZ-UHFFFAOYSA-N
XLogP4.20
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-1-methyl-3-(phenoxymethyl)indole
CID 117178420
1-methyl-3-[(4-methylphenoxy)methyl]indole-6-carboxylic acid
CID 117178698
6-chloro-3-[(4-chlorophenoxy)methyl]-1-methylindole
CID 117178543
4-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol
CID 117179041
1-methyl-3-[(4-methylphenoxy)methyl]indole-5-carboxylic acid
CID 117175310
4-[[6-(aminomethyl)-1-methylindol-3-yl]methoxy]phenol
CID 117178289
1,5-dimethyl-3-[(3-methylphenoxy)methyl]indole
CID 117185122
1-ethyl-3-[(3-fluorophenoxy)methyl]-6-methylindole
CID 117185749
3-[(4-chlorophenoxy)methyl]-1-methylindole-6-carboxylic acid
CID 117178702
6-fluoro-3-[(3-methoxyphenoxy)methyl]-1-propan-2-ylindole
CID 117179005
5-fluoro-2-[(4-methylphenoxy)methyl]benzoic acid
CID 63292702
N-ethyl-2-(6-fluoro-1-methylindol-3-yl)ethanamine
CID 82494111

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-methyl-3-[(4-methylphenoxy)methyl]indole?
The IUPAC name of 6-fluoro-1-methyl-3-[(4-methylphenoxy)methyl]indole (CID 117178524) is 6-fluoro-1-methyl-3-[(4-methylphenoxy)methyl]indole.
What is the SMILES notation for 6-fluoro-1-methyl-3-[(4-methylphenoxy)methyl]indole?
The canonical SMILES for 6-fluoro-1-methyl-3-[(4-methylphenoxy)methyl]indole is Cc1ccc(OCc2cn(C)c3cc(F)ccc23)cc1.
What is the InChIKey of 6-fluoro-1-methyl-3-[(4-methylphenoxy)methyl]indole?
The InChIKey is BCDULOSAHZCEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c1-12-3-6-15(7-4-12)20-11-13-10-19(2)17-9-14(18)5-8-16(13)17/h3-10H,11H2,1-2H3.
What are the key properties of 6-fluoro-1-methyl-3-[(4-methylphenoxy)methyl]indole?
6-fluoro-1-methyl-3-[(4-methylphenoxy)methyl]indole has a molecular weight of 269.32 g/mol, XLogP of 4.20, 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-[(4-methylphenoxy)methyl]indole is sourced from PubChem (CID 117178524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).