6-methyl-3-[(2-methylphenoxy)methyl]-1H-indole

C17H17NO — CID 117185650

IUPAC6-methyl-3-[(2-methylphenoxy)methyl]-1H-indole
SMILESCc1ccc2c(COc3ccccc3C)c[nH]c2c1
InChIInChI=1S/C17H17NO/c1-12-7-8-15-14(10-18-16(15)9-12)11-19-17-6-4-3-5-13(17)2/h3-10,18H,11H2,1-2H3
InChIKeyUDZVVPTXWAFGGP-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.36
Rot. Bonds3

About 6-methyl-3-[(2-methylphenoxy)methyl]-1H-indole

6-methyl-3-[(2-methylphenoxy)methyl]-1H-indole (PubChem CID 117185650) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 6-methyl-3-[(2-methylphenoxy)methyl]-1H-indole.

Molecular Properties

Compound Name6-methyl-3-[(2-methylphenoxy)methyl]-1H-indole
PubChem CID117185650
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name6-methyl-3-[(2-methylphenoxy)methyl]-1H-indole
SMILESCc1ccc2c(COc3ccccc3C)c[nH]c2c1
InChIInChI=1S/C17H17NO/c1-12-7-8-15-14(10-18-16(15)9-12)11-19-17-6-4-3-5-13(17)2/h3-10,18H,11H2,1-2H3
InChIKeyUDZVVPTXWAFGGP-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

6-fluoro-3-[(2-methylphenoxy)methyl]-1H-indole
CID 117178425
3-[(2-chlorophenoxy)methyl]-6-methyl-1H-indole
CID 117185653
3-[(2-fluorophenoxy)methyl]-6-methyl-1H-indole
CID 117185652
5-chloro-3-[(2-methylphenoxy)methyl]-1H-indole
CID 117175045
3-(ethoxymethyl)-6-methyl-1H-indole
CID 117185692
3-[(2-fluorophenoxy)methyl]-5-methyl-1H-indole
CID 117185110
1,4-dimethyl-2-[(2-methylphenoxy)methyl]benzene
CID 60627928
6-methyl-3-(pyridin-3-yloxymethyl)-1H-indole
CID 117185687
6-fluoro-3-[(3-methylphenoxy)methyl]-1H-indole
CID 117178472
3-[(2-methoxyphenoxy)methyl]-1H-indole-6-carboxylic acid
CID 117178684
2-[(7-methyl-1H-indol-3-yl)methoxy]phenol
CID 117186217
1-(6-methyl-1H-indol-3-yl)propan-2-amine;hydrochloride
CID 117067481

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[(2-methylphenoxy)methyl]-1H-indole?
The IUPAC name of 6-methyl-3-[(2-methylphenoxy)methyl]-1H-indole (CID 117185650) is 6-methyl-3-[(2-methylphenoxy)methyl]-1H-indole.
What is the SMILES notation for 6-methyl-3-[(2-methylphenoxy)methyl]-1H-indole?
The canonical SMILES for 6-methyl-3-[(2-methylphenoxy)methyl]-1H-indole is Cc1ccc2c(COc3ccccc3C)c[nH]c2c1.
What is the InChIKey of 6-methyl-3-[(2-methylphenoxy)methyl]-1H-indole?
The InChIKey is UDZVVPTXWAFGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-12-7-8-15-14(10-18-16(15)9-12)11-19-17-6-4-3-5-13(17)2/h3-10,18H,11H2,1-2H3.
What are the key properties of 6-methyl-3-[(2-methylphenoxy)methyl]-1H-indole?
6-methyl-3-[(2-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 6-methyl-3-[(2-methylphenoxy)methyl]-1H-indole is sourced from PubChem (CID 117185650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).