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

C17H17NO — CID 117186236

IUPAC7-methyl-3-[(4-methylphenoxy)methyl]-1H-indole
SMILESCc1ccc(OCc2c[nH]c3c(C)cccc23)cc1
InChIInChI=1S/C17H17NO/c1-12-6-8-15(9-7-12)19-11-14-10-18-17-13(2)4-3-5-16(14)17/h3-10,18H,11H2,1-2H3
InChIKeyGGGYGDFNWSNJDP-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.36
Rot. Bonds3

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

7-methyl-3-[(4-methylphenoxy)methyl]-1H-indole (PubChem CID 117186236) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 7-methyl-3-[(4-methylphenoxy)methyl]-1H-indole.

Molecular Properties

Compound Name7-methyl-3-[(4-methylphenoxy)methyl]-1H-indole
PubChem CID117186236
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name7-methyl-3-[(4-methylphenoxy)methyl]-1H-indole
SMILESCc1ccc(OCc2c[nH]c3c(C)cccc23)cc1
InChIInChI=1S/C17H17NO/c1-12-6-8-15(9-7-12)19-11-14-10-18-17-13(2)4-3-5-16(14)17/h3-10,18H,11H2,1-2H3
InChIKeyGGGYGDFNWSNJDP-UHFFFAOYSA-N
XLogP4.36
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(4-fluorophenoxy)methyl]-7-methyl-1H-indole
CID 117186238
7-bromo-3-[(4-methylphenoxy)methyl]-1H-indole
CID 117181960
2-[(7-methyl-1H-indol-3-yl)methoxy]phenol
CID 117186217
3-(ethoxymethyl)-7-methyl-1H-indole
CID 117186252
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-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indole
CID 117181955
3-[(3-hydroxyphenoxy)methyl]-1H-indol-7-ol
CID 117181938
3-[(4-methylphenoxy)methyl]-1H-indol-4-amine
CID 117171375
7-methyl-3-(2-phenylethyl)-1H-indole
CID 174735389
N,N-diethyl-2-(7-methyl-1H-indol-3-yl)acetamide
CID 110855149

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[(4-methylphenoxy)methyl]-1H-indole?
The IUPAC name of 7-methyl-3-[(4-methylphenoxy)methyl]-1H-indole (CID 117186236) is 7-methyl-3-[(4-methylphenoxy)methyl]-1H-indole.
What is the SMILES notation for 7-methyl-3-[(4-methylphenoxy)methyl]-1H-indole?
The canonical SMILES for 7-methyl-3-[(4-methylphenoxy)methyl]-1H-indole is Cc1ccc(OCc2c[nH]c3c(C)cccc23)cc1.
What is the InChIKey of 7-methyl-3-[(4-methylphenoxy)methyl]-1H-indole?
The InChIKey is GGGYGDFNWSNJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-12-6-8-15(9-7-12)19-11-14-10-18-17-13(2)4-3-5-16(14)17/h3-10,18H,11H2,1-2H3.
What are the key properties of 7-methyl-3-[(4-methylphenoxy)methyl]-1H-indole?
7-methyl-3-[(4-methylphenoxy)methyl]-1H-indole has a molecular weight of 251.33 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[(4-methylphenoxy)methyl]-1H-indole is sourced from PubChem (CID 117186236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).