2-(1-methyl-3-phenylindol-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid

C21H23NO3 — CID 66562490

IUPAC2-(1-methyl-3-phenylindol-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid
SMILESCn1c(C(OC(C)(C)C)C(=O)O)c(-c2ccccc2)c2ccccc21
InChIInChI=1S/C21H23NO3/c1-21(2,3)25-19(20(23)24)18-17(14-10-6-5-7-11-14)15-12-8-9-13-16(15)22(18)4/h5-13,19H,1-4H3,(H,23,24)
InChIKeySYLACGJDRCHICX-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.79
Rot. Bonds4

About 2-(1-methyl-3-phenylindol-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid

2-(1-methyl-3-phenylindol-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid (PubChem CID 66562490) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-(1-methyl-3-phenylindol-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-(1-methyl-3-phenylindol-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid
PubChem CID66562490
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name2-(1-methyl-3-phenylindol-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid
SMILESCn1c(C(OC(C)(C)C)C(=O)O)c(-c2ccccc2)c2ccccc21
InChIInChI=1S/C21H23NO3/c1-21(2,3)25-19(20(23)24)18-17(14-10-6-5-7-11-14)15-12-8-9-13-16(15)22(18)4/h5-13,19H,1-4H3,(H,23,24)
InChIKeySYLACGJDRCHICX-UHFFFAOYSA-N
XLogP4.79
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3-phenylindol-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid?
The IUPAC name of 2-(1-methyl-3-phenylindol-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid (CID 66562490) is 2-(1-methyl-3-phenylindol-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid.
What is the SMILES notation for 2-(1-methyl-3-phenylindol-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid?
The canonical SMILES for 2-(1-methyl-3-phenylindol-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid is Cn1c(C(OC(C)(C)C)C(=O)O)c(-c2ccccc2)c2ccccc21.
What is the InChIKey of 2-(1-methyl-3-phenylindol-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid?
The InChIKey is SYLACGJDRCHICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-21(2,3)25-19(20(23)24)18-17(14-10-6-5-7-11-14)15-12-8-9-13-16(15)22(18)4/h5-13,19H,1-4H3,(H,23,24).
What are the key properties of 2-(1-methyl-3-phenylindol-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid?
2-(1-methyl-3-phenylindol-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid has a molecular weight of 337.42 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3-phenylindol-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid is sourced from PubChem (CID 66562490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).