2-[5-methoxy-2-methyl-1-(2-phenoxyacetyl)indol-3-yl]acetic acid

C20H19NO5 — CID 154140708

IUPAC2-[5-methoxy-2-methyl-1-(2-phenoxyacetyl)indol-3-yl]acetic acid
SMILESCOc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)COc1ccccc1
InChIInChI=1S/C20H19NO5/c1-13-16(11-20(23)24)17-10-15(25-2)8-9-18(17)21(13)19(22)12-26-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,23,24)
InChIKeyAQWPFVMWKYADAH-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.30
Rot. Bonds6

About 2-[5-methoxy-2-methyl-1-(2-phenoxyacetyl)indol-3-yl]acetic acid

2-[5-methoxy-2-methyl-1-(2-phenoxyacetyl)indol-3-yl]acetic acid (PubChem CID 154140708) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is 2-[5-methoxy-2-methyl-1-(2-phenoxyacetyl)indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-methoxy-2-methyl-1-(2-phenoxyacetyl)indol-3-yl]acetic acid
PubChem CID154140708
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name2-[5-methoxy-2-methyl-1-(2-phenoxyacetyl)indol-3-yl]acetic acid
SMILESCOc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)COc1ccccc1
InChIInChI=1S/C20H19NO5/c1-13-16(11-20(23)24)17-10-15(25-2)8-9-18(17)21(13)19(22)12-26-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,23,24)
InChIKeyAQWPFVMWKYADAH-UHFFFAOYSA-N
XLogP3.30
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4-ethoxybenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid
CID 11245558
2-[5-methoxy-2-methyl-1-[4-(2-phenylethoxy)benzoyl]indol-3-yl]acetic acid
CID 10138321
2-[1-(4-butoxybenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid
CID 11395329
2-[5-methoxy-2-methyl-1-[(4-phenylmethoxyphenyl)methyl]indol-3-yl]acetic acid
CID 21191889
2-[1-[4-(chloromethyl)benzoyl]-5-methoxy-2-methylindol-3-yl]acetic acid
CID 71718049
2-(4-butoxyphenyl)-N-hydroxyacetamide;2-[5-methoxy-2-methyl-1-[(E)-3-phenylprop-2-enoyl]indol-3-yl]acetic acid
CID 87428484
2-[5-methoxy-2-methyl-1-(2-methylpropyl)indol-3-yl]acetic acid
CID 23368755
2-(5-methoxy-2-methyl-1-quinolin-2-ylindol-3-yl)acetic acid
CID 54506415
2-[5-methoxy-2-methyl-1-(4-nitrobenzoyl)indol-3-yl]acetic acid
CID 12845005
methyl 2-(1-acetyl-5-methoxy-2-methylindol-3-yl)acetate
CID 131851971
bis(2-[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]oxyacetate);ruthenium(2+)
CID 11848852
copper bis(2-[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]oxyacetate)
CID 11848850

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-2-methyl-1-(2-phenoxyacetyl)indol-3-yl]acetic acid?
The IUPAC name of 2-[5-methoxy-2-methyl-1-(2-phenoxyacetyl)indol-3-yl]acetic acid (CID 154140708) is 2-[5-methoxy-2-methyl-1-(2-phenoxyacetyl)indol-3-yl]acetic acid.
What is the SMILES notation for 2-[5-methoxy-2-methyl-1-(2-phenoxyacetyl)indol-3-yl]acetic acid?
The canonical SMILES for 2-[5-methoxy-2-methyl-1-(2-phenoxyacetyl)indol-3-yl]acetic acid is COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)COc1ccccc1.
What is the InChIKey of 2-[5-methoxy-2-methyl-1-(2-phenoxyacetyl)indol-3-yl]acetic acid?
The InChIKey is AQWPFVMWKYADAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-13-16(11-20(23)24)17-10-15(25-2)8-9-18(17)21(13)19(22)12-26-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,23,24).
What are the key properties of 2-[5-methoxy-2-methyl-1-(2-phenoxyacetyl)indol-3-yl]acetic acid?
2-[5-methoxy-2-methyl-1-(2-phenoxyacetyl)indol-3-yl]acetic acid has a molecular weight of 353.37 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-2-methyl-1-(2-phenoxyacetyl)indol-3-yl]acetic acid is sourced from PubChem (CID 154140708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).