3-[bis(4-methoxyphenyl)methyl]-1H-indole

C23H21NO2 — CID 4102319

IUPAC3-[bis(4-methoxyphenyl)methyl]-1H-indole
SMILESCOc1ccc(C(c2ccc(OC)cc2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C23H21NO2/c1-25-18-11-7-16(8-12-18)23(17-9-13-19(26-2)14-10-17)21-15-24-22-6-4-3-5-20(21)22/h3-15,23-24H,1-2H3
InChIKeyLJUKEFZXXQGYMH-UHFFFAOYSA-N
MW343.43 g/mol
LogP5.37
Rot. Bonds5

About 3-[bis(4-methoxyphenyl)methyl]-1H-indole

3-[bis(4-methoxyphenyl)methyl]-1H-indole (PubChem CID 4102319) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-[bis(4-methoxyphenyl)methyl]-1H-indole.

Molecular Properties

Compound Name3-[bis(4-methoxyphenyl)methyl]-1H-indole
PubChem CID4102319
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name3-[bis(4-methoxyphenyl)methyl]-1H-indole
SMILESCOc1ccc(C(c2ccc(OC)cc2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C23H21NO2/c1-25-18-11-7-16(8-12-18)23(17-9-13-19(26-2)14-10-17)21-15-24-22-6-4-3-5-20(21)22/h3-15,23-24H,1-2H3
InChIKeyLJUKEFZXXQGYMH-UHFFFAOYSA-N
XLogP5.37
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-methoxyphenyl)-(2,4,6-trimethylphenyl)methyl]-1H-indole
CID 3705119
3-[(2,4-dimethoxyphenyl)-phenylmethyl]-1H-indole
CID 72701742
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
3-[2,4-bis(1H-indol-3-yl)-4-(4-methoxyphenyl)butan-2-yl]-1H-indole
CID 25008232
3-[1H-indol-3-yl-(4-methoxynaphthalen-1-yl)methyl]-1H-indole
CID 4200527
1-[1H-indol-3-yl-(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 71469809
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 31216063
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide
CID 31818454
1-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 40880801
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-[bis(4-methoxyphenyl)methyl]-1H-indole?
The IUPAC name of 3-[bis(4-methoxyphenyl)methyl]-1H-indole (CID 4102319) is 3-[bis(4-methoxyphenyl)methyl]-1H-indole.
What is the SMILES notation for 3-[bis(4-methoxyphenyl)methyl]-1H-indole?
The canonical SMILES for 3-[bis(4-methoxyphenyl)methyl]-1H-indole is COc1ccc(C(c2ccc(OC)cc2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 3-[bis(4-methoxyphenyl)methyl]-1H-indole?
The InChIKey is LJUKEFZXXQGYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2/c1-25-18-11-7-16(8-12-18)23(17-9-13-19(26-2)14-10-17)21-15-24-22-6-4-3-5-20(21)22/h3-15,23-24H,1-2H3.
What are the key properties of 3-[bis(4-methoxyphenyl)methyl]-1H-indole?
3-[bis(4-methoxyphenyl)methyl]-1H-indole has a molecular weight of 343.43 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(4-methoxyphenyl)methyl]-1H-indole is sourced from PubChem (CID 4102319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).