propyl 2-(4-phenylmethoxyindol-1-yl)propanoate

C21H23NO3 — CID 84573134

IUPACpropyl 2-(4-phenylmethoxyindol-1-yl)propanoate
SMILESCCCOC(=O)C(C)n1ccc2c(OCc3ccccc3)cccc21
InChIInChI=1S/C21H23NO3/c1-3-14-24-21(23)16(2)22-13-12-18-19(22)10-7-11-20(18)25-15-17-8-5-4-6-9-17/h4-13,16H,3,14-15H2,1-2H3
InChIKeyWTGHYZAOMCXWAO-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.73
Rot. Bonds7

About propyl 2-(4-phenylmethoxyindol-1-yl)propanoate

propyl 2-(4-phenylmethoxyindol-1-yl)propanoate (PubChem CID 84573134) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is propyl 2-(4-phenylmethoxyindol-1-yl)propanoate.

Molecular Properties

Compound Namepropyl 2-(4-phenylmethoxyindol-1-yl)propanoate
PubChem CID84573134
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Namepropyl 2-(4-phenylmethoxyindol-1-yl)propanoate
SMILESCCCOC(=O)C(C)n1ccc2c(OCc3ccccc3)cccc21
InChIInChI=1S/C21H23NO3/c1-3-14-24-21(23)16(2)22-13-12-18-19(22)10-7-11-20(18)25-15-17-8-5-4-6-9-17/h4-13,16H,3,14-15H2,1-2H3
InChIKeyWTGHYZAOMCXWAO-UHFFFAOYSA-N
XLogP4.73
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-2-(4-phenylmethoxyindol-1-yl)propanamide
CID 84573039
1-(1-phenylethyl)-4-phenylmethoxyindole
CID 84571178
3-methylbutyl 2-(4-phenylmethoxyindol-1-yl)acetate
CID 84573126
1-ethyl-4-phenylmethoxyindole
CID 24776902
4-phenylmethoxyindole-1-sulfinate
CID 23517350
CID 59096793
CID 59096793
(1S,2R)-3-(methylamino)-1-phenyl-1-(4-phenylmethoxyindol-1-yl)propan-2-ol;hydrochloride
CID 69456550
propyl 3-hydroxy-3-(2-phenylmethoxyphenyl)propanoate
CID 54420934
1-(4-methylphenyl)-2-(4-phenylmethoxyindol-1-yl)ethanone
CID 84571772
1-(bromomethyl)-4-phenylmethoxyindole
CID 59096925
2-(4-propoxyindol-1-yl)acetohydrazide
CID 83163365
1-iodo-3-phenylmethoxy-2-propoxybenzene
CID 70139895

Frequently Asked Questions

What is the IUPAC name of propyl 2-(4-phenylmethoxyindol-1-yl)propanoate?
The IUPAC name of propyl 2-(4-phenylmethoxyindol-1-yl)propanoate (CID 84573134) is propyl 2-(4-phenylmethoxyindol-1-yl)propanoate.
What is the SMILES notation for propyl 2-(4-phenylmethoxyindol-1-yl)propanoate?
The canonical SMILES for propyl 2-(4-phenylmethoxyindol-1-yl)propanoate is CCCOC(=O)C(C)n1ccc2c(OCc3ccccc3)cccc21.
What is the InChIKey of propyl 2-(4-phenylmethoxyindol-1-yl)propanoate?
The InChIKey is WTGHYZAOMCXWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-3-14-24-21(23)16(2)22-13-12-18-19(22)10-7-11-20(18)25-15-17-8-5-4-6-9-17/h4-13,16H,3,14-15H2,1-2H3.
What are the key properties of propyl 2-(4-phenylmethoxyindol-1-yl)propanoate?
propyl 2-(4-phenylmethoxyindol-1-yl)propanoate has a molecular weight of 337.42 g/mol, XLogP of 4.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(4-phenylmethoxyindol-1-yl)propanoate is sourced from PubChem (CID 84573134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).