1-[(2-methoxy-5-methylphenyl)methyl]-4-methylindole

C18H19NO — CID 116620241

IUPAC1-[(2-methoxy-5-methylphenyl)methyl]-4-methylindole
SMILESCOc1ccc(C)cc1Cn1ccc2c(C)cccc21
InChIInChI=1S/C18H19NO/c1-13-7-8-18(20-3)15(11-13)12-19-10-9-16-14(2)5-4-6-17(16)19/h4-11H,12H2,1-3H3
InChIKeyQWJGQDFPHTZEFJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.32
Rot. Bonds3

About 1-[(2-methoxy-5-methylphenyl)methyl]-4-methylindole

1-[(2-methoxy-5-methylphenyl)methyl]-4-methylindole (PubChem CID 116620241) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[(2-methoxy-5-methylphenyl)methyl]-4-methylindole.

Molecular Properties

Compound Name1-[(2-methoxy-5-methylphenyl)methyl]-4-methylindole
PubChem CID116620241
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name1-[(2-methoxy-5-methylphenyl)methyl]-4-methylindole
SMILESCOc1ccc(C)cc1Cn1ccc2c(C)cccc21
InChIInChI=1S/C18H19NO/c1-13-7-8-18(20-3)15(11-13)12-19-10-9-16-14(2)5-4-6-17(16)19/h4-11H,12H2,1-3H3
InChIKeyQWJGQDFPHTZEFJ-UHFFFAOYSA-N
XLogP4.32
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-3-[(4-methylindol-1-yl)methyl]aniline
CID 43341860
6-chloro-1-[(2-methoxy-5-methylphenyl)methyl]indole
CID 116620555
4-bromo-1-[(2-methoxyphenyl)methyl]indole
CID 116626014
1-[(5-chloro-2-fluorophenyl)methyl]-4-methoxyindole
CID 103050113
4-methyl-1-(pyrimidin-2-ylmethyl)indole
CID 116620137
5-fluoro-2-[(4-methoxyindol-1-yl)methyl]aniline
CID 83162859
[4-fluoro-3-[(4-methylindol-1-yl)methyl]phenyl]methanamine
CID 43342104
1-[(2-fluoro-4-methoxyphenyl)methyl]-4-methoxyindole
CID 102879188
[1-[(2-methoxy-5-methylphenyl)methyl]imidazol-2-yl]methanamine
CID 62221952
1-[(3-bromo-4-methoxyphenyl)methyl]-4-methoxyindole
CID 83165932
5-iodo-1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpyridin-2-one
CID 79785107
[1-[(2-fluoro-3-methoxyphenyl)methyl]indol-4-yl]methanamine
CID 104792943

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-5-methylphenyl)methyl]-4-methylindole?
The IUPAC name of 1-[(2-methoxy-5-methylphenyl)methyl]-4-methylindole (CID 116620241) is 1-[(2-methoxy-5-methylphenyl)methyl]-4-methylindole.
What is the SMILES notation for 1-[(2-methoxy-5-methylphenyl)methyl]-4-methylindole?
The canonical SMILES for 1-[(2-methoxy-5-methylphenyl)methyl]-4-methylindole is COc1ccc(C)cc1Cn1ccc2c(C)cccc21.
What is the InChIKey of 1-[(2-methoxy-5-methylphenyl)methyl]-4-methylindole?
The InChIKey is QWJGQDFPHTZEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-13-7-8-18(20-3)15(11-13)12-19-10-9-16-14(2)5-4-6-17(16)19/h4-11H,12H2,1-3H3.
What are the key properties of 1-[(2-methoxy-5-methylphenyl)methyl]-4-methylindole?
1-[(2-methoxy-5-methylphenyl)methyl]-4-methylindole has a molecular weight of 265.36 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-5-methylphenyl)methyl]-4-methylindole is sourced from PubChem (CID 116620241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).