methyl 2-[5-(3,4-dimethylphenyl)-1H-indol-3-yl]acetate

C19H19NO2 — CID 166042268

IUPACmethyl 2-[5-(3,4-dimethylphenyl)-1H-indol-3-yl]acetate
SMILESCOC(=O)Cc1c[nH]c2ccc(-c3ccc(C)c(C)c3)cc12
InChIInChI=1S/C19H19NO2/c1-12-4-5-14(8-13(12)2)15-6-7-18-17(9-15)16(11-20-18)10-19(21)22-3/h4-9,11,20H,10H2,1-3H3
InChIKeySLWPKRPZQFIQFQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.17
Rot. Bonds3

About methyl 2-[5-(3,4-dimethylphenyl)-1H-indol-3-yl]acetate

methyl 2-[5-(3,4-dimethylphenyl)-1H-indol-3-yl]acetate (PubChem CID 166042268) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is methyl 2-[5-(3,4-dimethylphenyl)-1H-indol-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(3,4-dimethylphenyl)-1H-indol-3-yl]acetate
PubChem CID166042268
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Namemethyl 2-[5-(3,4-dimethylphenyl)-1H-indol-3-yl]acetate
SMILESCOC(=O)Cc1c[nH]c2ccc(-c3ccc(C)c(C)c3)cc12
InChIInChI=1S/C19H19NO2/c1-12-4-5-14(8-13(12)2)15-6-7-18-17(9-15)16(11-20-18)10-19(21)22-3/h4-9,11,20H,10H2,1-3H3
InChIKeySLWPKRPZQFIQFQ-UHFFFAOYSA-N
XLogP4.17
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(6-methyl-1H-indol-3-yl)acetate
CID 58828790
2-[5-(3,5-dimethylphenyl)-1H-indol-3-yl]acetic acid
CID 95483214
2-[5-(4-bromophenyl)-1H-indol-3-yl]acetic acid;ethanol;ethyl 2-[5-(4-bromophenyl)-1H-indol-3-yl]acetate
CID 167604339
methyl 2-[5-(3,3-dimethylbutanoylamino)-1H-indol-3-yl]acetate
CID 129128632
2-(5-butoxy-1H-indol-3-yl)acetic acid;methyl 2-(5-butoxy-1H-indol-3-yl)acetate
CID 158449887
2-[5-(4-phenylphenyl)-1H-indol-3-yl]acetic acid
CID 131953217
acetyloxymethyl 2-[5-(3,5-difluorophenyl)-1H-indol-3-yl]acetate
CID 177107817
methyl 2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetate
CID 71187027
methyl 2-[5-[3-[3-[(4-methylphenyl)methoxy]phenoxy]propoxy]-1H-indol-3-yl]acetate
CID 51038992
2-[5-(4-chlorophenyl)-1H-indol-3-yl]acetic acid
CID 22485718
2-(5-phenyl-1H-indol-3-yl)acetamide
CID 67245791
2-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 17271899

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(3,4-dimethylphenyl)-1H-indol-3-yl]acetate?
The IUPAC name of methyl 2-[5-(3,4-dimethylphenyl)-1H-indol-3-yl]acetate (CID 166042268) is methyl 2-[5-(3,4-dimethylphenyl)-1H-indol-3-yl]acetate.
What is the SMILES notation for methyl 2-[5-(3,4-dimethylphenyl)-1H-indol-3-yl]acetate?
The canonical SMILES for methyl 2-[5-(3,4-dimethylphenyl)-1H-indol-3-yl]acetate is COC(=O)Cc1c[nH]c2ccc(-c3ccc(C)c(C)c3)cc12.
What is the InChIKey of methyl 2-[5-(3,4-dimethylphenyl)-1H-indol-3-yl]acetate?
The InChIKey is SLWPKRPZQFIQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-12-4-5-14(8-13(12)2)15-6-7-18-17(9-15)16(11-20-18)10-19(21)22-3/h4-9,11,20H,10H2,1-3H3.
What are the key properties of methyl 2-[5-(3,4-dimethylphenyl)-1H-indol-3-yl]acetate?
methyl 2-[5-(3,4-dimethylphenyl)-1H-indol-3-yl]acetate has a molecular weight of 293.37 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(3,4-dimethylphenyl)-1H-indol-3-yl]acetate is sourced from PubChem (CID 166042268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).