3-[(2,4-dimethoxyphenyl)-phenylmethyl]-1H-indole

C23H21NO2 — CID 72701742

IUPAC3-[(2,4-dimethoxyphenyl)-phenylmethyl]-1H-indole
SMILESCOc1ccc(C(c2ccccc2)c2c[nH]c3ccccc23)c(OC)c1
InChIInChI=1S/C23H21NO2/c1-25-17-12-13-19(22(14-17)26-2)23(16-8-4-3-5-9-16)20-15-24-21-11-7-6-10-18(20)21/h3-15,23-24H,1-2H3
InChIKeyYQUQHVVMBVNSGZ-UHFFFAOYSA-N
MW343.43 g/mol
LogP5.37
Rot. Bonds5

About 3-[(2,4-dimethoxyphenyl)-phenylmethyl]-1H-indole

3-[(2,4-dimethoxyphenyl)-phenylmethyl]-1H-indole (PubChem CID 72701742) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-[(2,4-dimethoxyphenyl)-phenylmethyl]-1H-indole.

Molecular Properties

Compound Name3-[(2,4-dimethoxyphenyl)-phenylmethyl]-1H-indole
PubChem CID72701742
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name3-[(2,4-dimethoxyphenyl)-phenylmethyl]-1H-indole
SMILESCOc1ccc(C(c2ccccc2)c2c[nH]c3ccccc23)c(OC)c1
InChIInChI=1S/C23H21NO2/c1-25-17-12-13-19(22(14-17)26-2)23(16-8-4-3-5-9-16)20-15-24-21-11-7-6-10-18(20)21/h3-15,23-24H,1-2H3
InChIKeyYQUQHVVMBVNSGZ-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-[bis(4-methoxyphenyl)methyl]-1H-indole
CID 4102319
3-[1H-indol-3-yl-(4-methoxynaphthalen-1-yl)methyl]-1H-indole
CID 4200527
3-[(4-methoxyphenyl)-(2,4,6-trimethylphenyl)methyl]-1H-indole
CID 3705119
3-[1H-indol-3-yl(phenyl)methyl]-5-methyl-1H-indole
CID 25098654
3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-1-morpholin-4-ylpropan-1-one
CID 42804608
(2S,3S)-2-amino-3-(2,5-dimethoxyphenyl)-3-(1H-indol-3-yl)propanoic acid
CID 101052377
3-[benzenesulfonyl-(3-methoxyphenyl)methyl]-1H-indole
CID 134850362
(3R)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 93125259
(3R)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)propanamide
CID 93125254
2,4-dibromo-6-[1H-indol-3-yl(phenyl)methyl]phenol
CID 172802738
2-[2-[bis(6-methoxy-1H-indol-3-yl)methyl]phenoxy]aniline
CID 132529278
3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-1-phenylpropan-1-one
CID 102170720

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethoxyphenyl)-phenylmethyl]-1H-indole?
The IUPAC name of 3-[(2,4-dimethoxyphenyl)-phenylmethyl]-1H-indole (CID 72701742) is 3-[(2,4-dimethoxyphenyl)-phenylmethyl]-1H-indole.
What is the SMILES notation for 3-[(2,4-dimethoxyphenyl)-phenylmethyl]-1H-indole?
The canonical SMILES for 3-[(2,4-dimethoxyphenyl)-phenylmethyl]-1H-indole is COc1ccc(C(c2ccccc2)c2c[nH]c3ccccc23)c(OC)c1.
What is the InChIKey of 3-[(2,4-dimethoxyphenyl)-phenylmethyl]-1H-indole?
The InChIKey is YQUQHVVMBVNSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2/c1-25-17-12-13-19(22(14-17)26-2)23(16-8-4-3-5-9-16)20-15-24-21-11-7-6-10-18(20)21/h3-15,23-24H,1-2H3.
What are the key properties of 3-[(2,4-dimethoxyphenyl)-phenylmethyl]-1H-indole?
3-[(2,4-dimethoxyphenyl)-phenylmethyl]-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-[(2,4-dimethoxyphenyl)-phenylmethyl]-1H-indole is sourced from PubChem (CID 72701742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).