3-[(4-fluorophenoxy)methyl]-7-methyl-1H-indole

C16H14FNO — CID 117186238

IUPAC3-[(4-fluorophenoxy)methyl]-7-methyl-1H-indole
SMILESCc1cccc2c(COc3ccc(F)cc3)c[nH]c12
InChIInChI=1S/C16H14FNO/c1-11-3-2-4-15-12(9-18-16(11)15)10-19-14-7-5-13(17)6-8-14/h2-9,18H,10H2,1H3
InChIKeyZWFQKQBVOPQTRJ-UHFFFAOYSA-N
MW255.29 g/mol
LogP4.19
Rot. Bonds3

About 3-[(4-fluorophenoxy)methyl]-7-methyl-1H-indole

3-[(4-fluorophenoxy)methyl]-7-methyl-1H-indole (PubChem CID 117186238) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is 3-[(4-fluorophenoxy)methyl]-7-methyl-1H-indole.

Molecular Properties

Compound Name3-[(4-fluorophenoxy)methyl]-7-methyl-1H-indole
PubChem CID117186238
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name3-[(4-fluorophenoxy)methyl]-7-methyl-1H-indole
SMILESCc1cccc2c(COc3ccc(F)cc3)c[nH]c12
InChIInChI=1S/C16H14FNO/c1-11-3-2-4-15-12(9-18-16(11)15)10-19-14-7-5-13(17)6-8-14/h2-9,18H,10H2,1H3
InChIKeyZWFQKQBVOPQTRJ-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

7-methyl-3-[(4-methylphenoxy)methyl]-1H-indole
CID 117186236
2-[(7-methyl-1H-indol-3-yl)methoxy]phenol
CID 117186217
7-bromo-3-[(4-methylphenoxy)methyl]-1H-indole
CID 117181960
3-(ethoxymethyl)-7-methyl-1H-indole
CID 117186252
7-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indole
CID 117181955
3-(phenoxymethyl)-1H-indol-7-amine
CID 117181852
4-[[7-(aminomethyl)-1H-indol-3-yl]methoxy]phenol
CID 117181714
2-(7-methyl-1H-indol-3-yl)ethanamine chloride
CID 53351005
7-fluoro-3-(pyridin-3-yloxymethyl)-1H-indole
CID 117182002
3-[(3-hydroxyphenoxy)methyl]-1H-indol-7-ol
CID 117181938
4-fluoro-3-[(4-fluorophenoxy)methyl]-1H-indole
CID 117171394
6-fluoro-3-[(3-methylphenoxy)methyl]-1H-indole
CID 117178472

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenoxy)methyl]-7-methyl-1H-indole?
The IUPAC name of 3-[(4-fluorophenoxy)methyl]-7-methyl-1H-indole (CID 117186238) is 3-[(4-fluorophenoxy)methyl]-7-methyl-1H-indole.
What is the SMILES notation for 3-[(4-fluorophenoxy)methyl]-7-methyl-1H-indole?
The canonical SMILES for 3-[(4-fluorophenoxy)methyl]-7-methyl-1H-indole is Cc1cccc2c(COc3ccc(F)cc3)c[nH]c12.
What is the InChIKey of 3-[(4-fluorophenoxy)methyl]-7-methyl-1H-indole?
The InChIKey is ZWFQKQBVOPQTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO/c1-11-3-2-4-15-12(9-18-16(11)15)10-19-14-7-5-13(17)6-8-14/h2-9,18H,10H2,1H3.
What are the key properties of 3-[(4-fluorophenoxy)methyl]-7-methyl-1H-indole?
3-[(4-fluorophenoxy)methyl]-7-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 3-[(4-fluorophenoxy)methyl]-7-methyl-1H-indole is sourced from PubChem (CID 117186238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).