methyl 2-[1-benzyl-5-methoxy-2-(2-methoxyphenyl)indol-3-yl]acetate

C26H25NO4 — CID 67650230

IUPACmethyl 2-[1-benzyl-5-methoxy-2-(2-methoxyphenyl)indol-3-yl]acetate
SMILESCOC(=O)Cc1c(-c2ccccc2OC)n(Cc2ccccc2)c2ccc(OC)cc12
InChIInChI=1S/C26H25NO4/c1-29-19-13-14-23-21(15-19)22(16-25(28)31-3)26(20-11-7-8-12-24(20)30-2)27(23)17-18-9-5-4-6-10-18/h4-15H,16-17H2,1-3H3
InChIKeySBFUDBZYQLOHKN-UHFFFAOYSA-N
MW415.49 g/mol
LogP5.09
Rot. Bonds7

About methyl 2-[1-benzyl-5-methoxy-2-(2-methoxyphenyl)indol-3-yl]acetate

methyl 2-[1-benzyl-5-methoxy-2-(2-methoxyphenyl)indol-3-yl]acetate (PubChem CID 67650230) has the molecular formula C26H25NO4 and a molecular weight of 415.49 g/mol. Its IUPAC name is methyl 2-[1-benzyl-5-methoxy-2-(2-methoxyphenyl)indol-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-benzyl-5-methoxy-2-(2-methoxyphenyl)indol-3-yl]acetate
PubChem CID67650230
Molecular FormulaC26H25NO4
Molecular Weight415.49 g/mol
Exact Mass415.18
IUPAC Namemethyl 2-[1-benzyl-5-methoxy-2-(2-methoxyphenyl)indol-3-yl]acetate
SMILESCOC(=O)Cc1c(-c2ccccc2OC)n(Cc2ccccc2)c2ccc(OC)cc12
InChIInChI=1S/C26H25NO4/c1-29-19-13-14-23-21(15-19)22(16-25(28)31-3)26(20-11-7-8-12-24(20)30-2)27(23)17-18-9-5-4-6-10-18/h4-15H,16-17H2,1-3H3
InChIKeySBFUDBZYQLOHKN-UHFFFAOYSA-N
XLogP5.09
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.49
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-benzyl-5-methoxy-2-(4-methoxyphenyl)indol-3-yl]acetic acid
CID 67748943
2-[1-benzyl-2-(4-fluorophenyl)-5-methoxyindol-3-yl]acetic acid
CID 67649862
methyl 2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetate
CID 154279284
methyl 2-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetate
CID 54300597
methyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate
CID 10859841
2-(1-benzyl-5-methoxy-2-propylindol-3-yl)acetic acid
CID 21191884
2-[5-methoxy-2-methyl-1-[(4-phenylmethoxyphenyl)methyl]indol-3-yl]acetic acid
CID 21191889
2-(1-benzyl-2-cyclopropyl-5-methoxyindol-3-yl)acetic acid
CID 21191871
2-(1-benzyl-5-methoxy-2-propylindol-3-yl)acetamide
CID 10688272
ethyl 4-[1-benzyl-3-(2-methoxy-2-oxoethyl)-2-methylindol-5-yl]oxybutanoate
CID 10550211
N-ethyl-2-[4-[[2-(4-methoxyphenyl)-3-methyl-5-phenylmethoxyindol-1-yl]methyl]phenyl]acetamide
CID 139336695
tert-butyl-[2-[4-[[3-fluoro-2-(2-methoxyphenyl)-5-phenylmethoxyindol-1-yl]methyl]phenyl]ethoxy]-dimethylsilane
CID 150361755

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-benzyl-5-methoxy-2-(2-methoxyphenyl)indol-3-yl]acetate?
The IUPAC name of methyl 2-[1-benzyl-5-methoxy-2-(2-methoxyphenyl)indol-3-yl]acetate (CID 67650230) is methyl 2-[1-benzyl-5-methoxy-2-(2-methoxyphenyl)indol-3-yl]acetate.
What is the SMILES notation for methyl 2-[1-benzyl-5-methoxy-2-(2-methoxyphenyl)indol-3-yl]acetate?
The canonical SMILES for methyl 2-[1-benzyl-5-methoxy-2-(2-methoxyphenyl)indol-3-yl]acetate is COC(=O)Cc1c(-c2ccccc2OC)n(Cc2ccccc2)c2ccc(OC)cc12.
What is the InChIKey of methyl 2-[1-benzyl-5-methoxy-2-(2-methoxyphenyl)indol-3-yl]acetate?
The InChIKey is SBFUDBZYQLOHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO4/c1-29-19-13-14-23-21(15-19)22(16-25(28)31-3)26(20-11-7-8-12-24(20)30-2)27(23)17-18-9-5-4-6-10-18/h4-15H,16-17H2,1-3H3.
What are the key properties of methyl 2-[1-benzyl-5-methoxy-2-(2-methoxyphenyl)indol-3-yl]acetate?
methyl 2-[1-benzyl-5-methoxy-2-(2-methoxyphenyl)indol-3-yl]acetate has a molecular weight of 415.49 g/mol, XLogP of 5.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-benzyl-5-methoxy-2-(2-methoxyphenyl)indol-3-yl]acetate is sourced from PubChem (CID 67650230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).