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

C16H14FNO — CID 117178472

IUPAC6-fluoro-3-[(3-methylphenoxy)methyl]-1H-indole
SMILESCc1cccc(OCc2c[nH]c3cc(F)ccc23)c1
InChIInChI=1S/C16H14FNO/c1-11-3-2-4-14(7-11)19-10-12-9-18-16-8-13(17)5-6-15(12)16/h2-9,18H,10H2,1H3
InChIKeyVRLZPGAIQFLVDO-UHFFFAOYSA-N
MW255.29 g/mol
LogP4.19
Rot. Bonds3

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

6-fluoro-3-[(3-methylphenoxy)methyl]-1H-indole (PubChem CID 117178472) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is 6-fluoro-3-[(3-methylphenoxy)methyl]-1H-indole.

Molecular Properties

Compound Name6-fluoro-3-[(3-methylphenoxy)methyl]-1H-indole
PubChem CID117178472
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name6-fluoro-3-[(3-methylphenoxy)methyl]-1H-indole
SMILESCc1cccc(OCc2c[nH]c3cc(F)ccc23)c1
InChIInChI=1S/C16H14FNO/c1-11-3-2-4-14(7-11)19-10-12-9-18-16-8-13(17)5-6-15(12)16/h2-9,18H,10H2,1H3
InChIKeyVRLZPGAIQFLVDO-UHFFFAOYSA-N
XLogP4.19
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-fluoro-3-[(2-methylphenoxy)methyl]-1H-indole
CID 117178425
6-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indole
CID 117178516
3-[(5-fluoro-1H-indol-3-yl)methoxy]phenol
CID 117175120
3-[(2-fluorophenoxy)methyl]-6-methyl-1H-indole
CID 117185652
6-methyl-3-(pyridin-3-yloxymethyl)-1H-indole
CID 117185687
6-methyl-3-[(2-methylphenoxy)methyl]-1H-indole
CID 117185650
[3-[(4-fluorophenoxy)methyl]-1H-indol-6-yl]methanamine
CID 117178283
5-methyl-2-[(3-methylphenoxy)methyl]phenol
CID 117221129
4-chloro-3-[(3-fluorophenoxy)methyl]-1H-indole
CID 117171335
3-[(2-chlorophenoxy)methyl]-6-methyl-1H-indole
CID 117185653
3-[(4-fluorophenoxy)methyl]-7-methyl-1H-indole
CID 117186238
2-(1H-indol-3-yl)-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide
CID 26901683

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[(3-methylphenoxy)methyl]-1H-indole?
The IUPAC name of 6-fluoro-3-[(3-methylphenoxy)methyl]-1H-indole (CID 117178472) is 6-fluoro-3-[(3-methylphenoxy)methyl]-1H-indole.
What is the SMILES notation for 6-fluoro-3-[(3-methylphenoxy)methyl]-1H-indole?
The canonical SMILES for 6-fluoro-3-[(3-methylphenoxy)methyl]-1H-indole is Cc1cccc(OCc2c[nH]c3cc(F)ccc23)c1.
What is the InChIKey of 6-fluoro-3-[(3-methylphenoxy)methyl]-1H-indole?
The InChIKey is VRLZPGAIQFLVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO/c1-11-3-2-4-14(7-11)19-10-12-9-18-16-8-13(17)5-6-15(12)16/h2-9,18H,10H2,1H3.
What are the key properties of 6-fluoro-3-[(3-methylphenoxy)methyl]-1H-indole?
6-fluoro-3-[(3-methylphenoxy)methyl]-1H-indole has a molecular weight of 255.29 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[(3-methylphenoxy)methyl]-1H-indole is sourced from PubChem (CID 117178472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).