3-[(4-methoxyphenyl)-(2,4,6-trimethylphenyl)methyl]-1H-indole

C25H25NO — CID 3705119

IUPAC3-[(4-methoxyphenyl)-(2,4,6-trimethylphenyl)methyl]-1H-indole
SMILESCOc1ccc(C(c2c(C)cc(C)cc2C)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C25H25NO/c1-16-13-17(2)24(18(3)14-16)25(19-9-11-20(27-4)12-10-19)22-15-26-23-8-6-5-7-21(22)23/h5-15,25-26H,1-4H3
InChIKeyIGAAQTJMNKRMEE-UHFFFAOYSA-N
MW355.48 g/mol
LogP6.28
Rot. Bonds4

About 3-[(4-methoxyphenyl)-(2,4,6-trimethylphenyl)methyl]-1H-indole

3-[(4-methoxyphenyl)-(2,4,6-trimethylphenyl)methyl]-1H-indole (PubChem CID 3705119) has the molecular formula C25H25NO and a molecular weight of 355.48 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)-(2,4,6-trimethylphenyl)methyl]-1H-indole.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)-(2,4,6-trimethylphenyl)methyl]-1H-indole
PubChem CID3705119
Molecular FormulaC25H25NO
Molecular Weight355.48 g/mol
Exact Mass355.19
IUPAC Name3-[(4-methoxyphenyl)-(2,4,6-trimethylphenyl)methyl]-1H-indole
SMILESCOc1ccc(C(c2c(C)cc(C)cc2C)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C25H25NO/c1-16-13-17(2)24(18(3)14-16)25(19-9-11-20(27-4)12-10-19)22-15-26-23-8-6-5-7-21(22)23/h5-15,25-26H,1-4H3
InChIKeyIGAAQTJMNKRMEE-UHFFFAOYSA-N
XLogP6.28
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[bis(4-methoxyphenyl)methyl]-1H-indole
CID 4102319
3-[(2,4-dimethoxyphenyl)-phenylmethyl]-1H-indole
CID 72701742
3-[1H-indol-3-yl(phenyl)methyl]-5-methyl-1H-indole
CID 25098654
3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 58088410
diethyl 2-[(S)-1H-indol-3-yl-(4-methoxyphenyl)methyl]propanedioate
CID 102476923
diethyl 2-[1H-indol-3-yl-(4-methoxyphenyl)methyl]propanedioate
CID 102108904
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 31216063
2-[1H-indol-3-yl-(4-methylphenyl)methyl]-3-methyl-1H-indole
CID 134975119
3-[2,4-bis(1H-indol-3-yl)-4-(4-methoxyphenyl)butan-2-yl]-1H-indole
CID 25008232
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxy-5-methylbenzamide
CID 55395701
N-[1H-indol-3-yl-(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)acetamide
CID 43843744
3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-1-naphthalen-2-ylpropan-1-one
CID 126715490

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)-(2,4,6-trimethylphenyl)methyl]-1H-indole?
The IUPAC name of 3-[(4-methoxyphenyl)-(2,4,6-trimethylphenyl)methyl]-1H-indole (CID 3705119) is 3-[(4-methoxyphenyl)-(2,4,6-trimethylphenyl)methyl]-1H-indole.
What is the SMILES notation for 3-[(4-methoxyphenyl)-(2,4,6-trimethylphenyl)methyl]-1H-indole?
The canonical SMILES for 3-[(4-methoxyphenyl)-(2,4,6-trimethylphenyl)methyl]-1H-indole is COc1ccc(C(c2c(C)cc(C)cc2C)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)-(2,4,6-trimethylphenyl)methyl]-1H-indole?
The InChIKey is IGAAQTJMNKRMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO/c1-16-13-17(2)24(18(3)14-16)25(19-9-11-20(27-4)12-10-19)22-15-26-23-8-6-5-7-21(22)23/h5-15,25-26H,1-4H3.
What are the key properties of 3-[(4-methoxyphenyl)-(2,4,6-trimethylphenyl)methyl]-1H-indole?
3-[(4-methoxyphenyl)-(2,4,6-trimethylphenyl)methyl]-1H-indole has a molecular weight of 355.48 g/mol, XLogP of 6.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)-(2,4,6-trimethylphenyl)methyl]-1H-indole is sourced from PubChem (CID 3705119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).