methyl 2-[[1-(2-benzhydryloxyethyl)-2,3-dihydroindol-4-yl]oxy]acetate

C26H27NO4 — CID 20708402

IUPACmethyl 2-[[1-(2-benzhydryloxyethyl)-2,3-dihydroindol-4-yl]oxy]acetate
SMILESCOC(=O)COc1cccc2c1CCN2CCOC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H27NO4/c1-29-25(28)19-31-24-14-8-13-23-22(24)15-16-27(23)17-18-30-26(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-14,26H,15-19H2,1H3
InChIKeyHANFCZSSOVPRCO-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.41
Rot. Bonds9

About methyl 2-[[1-(2-benzhydryloxyethyl)-2,3-dihydroindol-4-yl]oxy]acetate

methyl 2-[[1-(2-benzhydryloxyethyl)-2,3-dihydroindol-4-yl]oxy]acetate (PubChem CID 20708402) has the molecular formula C26H27NO4 and a molecular weight of 417.51 g/mol. Its IUPAC name is methyl 2-[[1-(2-benzhydryloxyethyl)-2,3-dihydroindol-4-yl]oxy]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-(2-benzhydryloxyethyl)-2,3-dihydroindol-4-yl]oxy]acetate
PubChem CID20708402
Molecular FormulaC26H27NO4
Molecular Weight417.51 g/mol
Exact Mass417.19
IUPAC Namemethyl 2-[[1-(2-benzhydryloxyethyl)-2,3-dihydroindol-4-yl]oxy]acetate
SMILESCOC(=O)COc1cccc2c1CCN2CCOC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H27NO4/c1-29-25(28)19-31-24-14-8-13-23-22(24)15-16-27(23)17-18-30-26(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-14,26H,15-19H2,1H3
InChIKeyHANFCZSSOVPRCO-UHFFFAOYSA-N
XLogP4.41
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(2-benzhydryloxyethyl)-2,3-dihydroindol-4-yl]oxy]acetate?
The IUPAC name of methyl 2-[[1-(2-benzhydryloxyethyl)-2,3-dihydroindol-4-yl]oxy]acetate (CID 20708402) is methyl 2-[[1-(2-benzhydryloxyethyl)-2,3-dihydroindol-4-yl]oxy]acetate.
What is the SMILES notation for methyl 2-[[1-(2-benzhydryloxyethyl)-2,3-dihydroindol-4-yl]oxy]acetate?
The canonical SMILES for methyl 2-[[1-(2-benzhydryloxyethyl)-2,3-dihydroindol-4-yl]oxy]acetate is COC(=O)COc1cccc2c1CCN2CCOC(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 2-[[1-(2-benzhydryloxyethyl)-2,3-dihydroindol-4-yl]oxy]acetate?
The InChIKey is HANFCZSSOVPRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO4/c1-29-25(28)19-31-24-14-8-13-23-22(24)15-16-27(23)17-18-30-26(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-14,26H,15-19H2,1H3.
What are the key properties of methyl 2-[[1-(2-benzhydryloxyethyl)-2,3-dihydroindol-4-yl]oxy]acetate?
methyl 2-[[1-(2-benzhydryloxyethyl)-2,3-dihydroindol-4-yl]oxy]acetate has a molecular weight of 417.51 g/mol, XLogP of 4.41, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(2-benzhydryloxyethyl)-2,3-dihydroindol-4-yl]oxy]acetate is sourced from PubChem (CID 20708402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).