3-benzyl-1-[(3,4-dimethoxyphenyl)methyl]indole

C24H23NO2 — CID 53474780

IUPAC3-benzyl-1-[(3,4-dimethoxyphenyl)methyl]indole
SMILESCOc1ccc(Cn2cc(Cc3ccccc3)c3ccccc32)cc1OC
InChIInChI=1S/C24H23NO2/c1-26-23-13-12-19(15-24(23)27-2)16-25-17-20(14-18-8-4-3-5-9-18)21-10-6-7-11-22(21)25/h3-13,15,17H,14,16H2,1-2H3
InChIKeyRCKVQJFXNSLVMZ-UHFFFAOYSA-N
MW357.45 g/mol
LogP5.30
Rot. Bonds6

About 3-benzyl-1-[(3,4-dimethoxyphenyl)methyl]indole

3-benzyl-1-[(3,4-dimethoxyphenyl)methyl]indole (PubChem CID 53474780) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is 3-benzyl-1-[(3,4-dimethoxyphenyl)methyl]indole.

Molecular Properties

Compound Name3-benzyl-1-[(3,4-dimethoxyphenyl)methyl]indole
PubChem CID53474780
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name3-benzyl-1-[(3,4-dimethoxyphenyl)methyl]indole
SMILESCOc1ccc(Cn2cc(Cc3ccccc3)c3ccccc32)cc1OC
InChIInChI=1S/C24H23NO2/c1-26-23-13-12-19(15-24(23)27-2)16-25-17-20(14-18-8-4-3-5-9-18)21-10-6-7-11-22(21)25/h3-13,15,17H,14,16H2,1-2H3
InChIKeyRCKVQJFXNSLVMZ-UHFFFAOYSA-N
XLogP5.30
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.45
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(3,4-dimethoxyphenyl)methyl]indol-3-yl]-trimethylazanium
CID 102432985
2-(3,4-dimethoxyphenyl)-N-[[1-[(2-methylphenyl)methyl]indol-3-yl]methyl]ethanamine
CID 124822309
N-[(1-benzylindol-3-yl)methyl]-1-(2-methoxyphenyl)methanamine
CID 124818287
1-benzyl-3-(3,4-dimethoxybenzoyl)quinolin-4-one
CID 2137046
2-[1-[(3-methoxyphenyl)methyl]indol-3-yl]acetic acid
CID 43825861
[2-methoxy-4-[(3-methylindol-1-yl)methyl]phenyl]methanamine
CID 106785915
azane;4-benzyl-1,2-dimethoxybenzene
CID 69220644
1-[[3,4-bis(phenylmethoxy)phenyl]methyl]-3-methylindole
CID 59014808
1-benzyl-3-(1-benzyl-5,6-dimethoxyindol-3-yl)-5,6-dimethoxyindole
CID 25140580
N-(5-acetamido-2-methoxyphenyl)-2-(1-benzylindol-3-yl)acetamide
CID 16820622
[1-[(5-chloro-2-methoxyphenyl)methyl]indol-3-yl]methanol
CID 66398877
1-benzyl-3-(3,4,5-trimethoxyphenyl)selanylindole
CID 74763463

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-[(3,4-dimethoxyphenyl)methyl]indole?
The IUPAC name of 3-benzyl-1-[(3,4-dimethoxyphenyl)methyl]indole (CID 53474780) is 3-benzyl-1-[(3,4-dimethoxyphenyl)methyl]indole.
What is the SMILES notation for 3-benzyl-1-[(3,4-dimethoxyphenyl)methyl]indole?
The canonical SMILES for 3-benzyl-1-[(3,4-dimethoxyphenyl)methyl]indole is COc1ccc(Cn2cc(Cc3ccccc3)c3ccccc32)cc1OC.
What is the InChIKey of 3-benzyl-1-[(3,4-dimethoxyphenyl)methyl]indole?
The InChIKey is RCKVQJFXNSLVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2/c1-26-23-13-12-19(15-24(23)27-2)16-25-17-20(14-18-8-4-3-5-9-18)21-10-6-7-11-22(21)25/h3-13,15,17H,14,16H2,1-2H3.
What are the key properties of 3-benzyl-1-[(3,4-dimethoxyphenyl)methyl]indole?
3-benzyl-1-[(3,4-dimethoxyphenyl)methyl]indole has a molecular weight of 357.45 g/mol, XLogP of 5.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-[(3,4-dimethoxyphenyl)methyl]indole is sourced from PubChem (CID 53474780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).