5-methoxy-1-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)indole

C26H27NO5 — CID 164622798

IUPAC5-methoxy-1-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)indole
SMILESCOc1ccc(Cn2c(-c3cc(OC)c(OC)c(OC)c3)cc3cc(OC)ccc32)cc1
InChIInChI=1S/C26H27NO5/c1-28-20-8-6-17(7-9-20)16-27-22-11-10-21(29-2)12-18(22)13-23(27)19-14-24(30-3)26(32-5)25(15-19)31-4/h6-15H,16H2,1-5H3
InChIKeyNPXSAUOEZRWTLG-UHFFFAOYSA-N
MW433.50 g/mol
LogP5.40
Rot. Bonds8

About 5-methoxy-1-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)indole

5-methoxy-1-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)indole (PubChem CID 164622798) has the molecular formula C26H27NO5 and a molecular weight of 433.50 g/mol. Its IUPAC name is 5-methoxy-1-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)indole.

Molecular Properties

Compound Name5-methoxy-1-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)indole
PubChem CID164622798
Molecular FormulaC26H27NO5
Molecular Weight433.50 g/mol
Exact Mass433.19
IUPAC Name5-methoxy-1-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)indole
SMILESCOc1ccc(Cn2c(-c3cc(OC)c(OC)c(OC)c3)cc3cc(OC)ccc32)cc1
InChIInChI=1S/C26H27NO5/c1-28-20-8-6-17(7-9-20)16-27-22-11-10-21(29-2)12-18(22)13-23(27)19-14-24(30-3)26(32-5)25(15-19)31-4/h6-15H,16H2,1-5H3
InChIKeyNPXSAUOEZRWTLG-UHFFFAOYSA-N
XLogP5.40
TPSA51.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.50
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-2-(furan-3-yl)-5-methoxyindole
CID 141287669
4-[(5-methoxy-2-methylindol-1-yl)methyl]aniline
CID 19779449
2-(4-bromophenyl)-1-[(4-methoxyphenyl)methyl]indole
CID 22387400
methyl 3-[[5-methoxy-2-(3-methoxyphenyl)indol-1-yl]methyl]benzoate
CID 67685081
5-chloro-2-(4-methoxyphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazole
CID 57328802
6-methoxy-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-2-one
CID 18467672
5-fluoro-1-[(4-methoxyphenyl)methyl]-2-methylindole
CID 174227358
1-benzyl-2-ethenyl-5-methoxyindole
CID 139256269
1-benzyl-2,5-bis(4-methoxyphenyl)pyrrolo[2,3-c]pyridine
CID 135061790
5-methoxy-1-[(3,4,5-trimethoxyphenyl)methyl]-2H-indazol-3-one
CID 10521372
1,2,3-trimethoxy-5-[3-(4-methoxyphenyl)prop-1-enyl]benzene
CID 141151486
1,2,3-trimethoxy-5-[(4-methoxyphenyl)methylsulfinyl]benzene
CID 10215306

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)indole?
The IUPAC name of 5-methoxy-1-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)indole (CID 164622798) is 5-methoxy-1-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)indole.
What is the SMILES notation for 5-methoxy-1-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)indole?
The canonical SMILES for 5-methoxy-1-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)indole is COc1ccc(Cn2c(-c3cc(OC)c(OC)c(OC)c3)cc3cc(OC)ccc32)cc1.
What is the InChIKey of 5-methoxy-1-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)indole?
The InChIKey is NPXSAUOEZRWTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO5/c1-28-20-8-6-17(7-9-20)16-27-22-11-10-21(29-2)12-18(22)13-23(27)19-14-24(30-3)26(32-5)25(15-19)31-4/h6-15H,16H2,1-5H3.
What are the key properties of 5-methoxy-1-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)indole?
5-methoxy-1-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)indole has a molecular weight of 433.50 g/mol, XLogP of 5.40, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)indole is sourced from PubChem (CID 164622798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).