ethyl 2-(5-phenylmethoxyindol-1-yl)hexanoate

C23H27NO3 — CID 66821164

IUPACethyl 2-(5-phenylmethoxyindol-1-yl)hexanoate
SMILESCCCCC(C(=O)OCC)n1ccc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C23H27NO3/c1-3-5-11-22(23(25)26-4-2)24-15-14-19-16-20(12-13-21(19)24)27-17-18-9-7-6-8-10-18/h6-10,12-16,22H,3-5,11,17H2,1-2H3
InChIKeyVHBRQMQSIXWOQD-UHFFFAOYSA-N
MW365.47 g/mol
LogP5.51
Rot. Bonds9

About ethyl 2-(5-phenylmethoxyindol-1-yl)hexanoate

ethyl 2-(5-phenylmethoxyindol-1-yl)hexanoate (PubChem CID 66821164) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is ethyl 2-(5-phenylmethoxyindol-1-yl)hexanoate.

Molecular Properties

Compound Nameethyl 2-(5-phenylmethoxyindol-1-yl)hexanoate
PubChem CID66821164
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Nameethyl 2-(5-phenylmethoxyindol-1-yl)hexanoate
SMILESCCCCC(C(=O)OCC)n1ccc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C23H27NO3/c1-3-5-11-22(23(25)26-4-2)24-15-14-19-16-20(12-13-21(19)24)27-17-18-9-7-6-8-10-18/h6-10,12-16,22H,3-5,11,17H2,1-2H3
InChIKeyVHBRQMQSIXWOQD-UHFFFAOYSA-N
XLogP5.51
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.47
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2R)-1-phenyl-1-(5-phenylmethoxyindol-1-yl)-3-(propylamino)propan-2-ol
CID 58837384
methyl 2-(5-phenylmethoxyindol-1-yl)acetate
CID 20770836
3-(5-phenylmethoxyindol-1-yl)propanoic acid
CID 22570271
2-(5-phenylmethoxyindol-1-yl)-N-propan-2-ylacetamide
CID 39314820
2-amino-4-oxo-4-[5-[[4-(2-phenylethyl)phenyl]methoxy]indol-1-yl]butanoic acid
CID 68834631
ethane;1-(2-phenylethyl)-5-phenylmethoxyindole
CID 145371075
[(2R,3S)-2-hydroxy-3-[5-[(4-methoxyphenyl)methoxy]indol-1-yl]-3-phenylpropyl]-methylcarbamic acid
CID 69457423
ethyl 2-[(6-phenylmethoxynaphthalen-2-yl)methylamino]acetate
CID 86051914
[(3R,4S)-4-[5-[(3-fluorophenyl)methoxy]indol-1-yl]-3-hydroxy-4-phenylbutyl]carbamic acid
CID 69457946
butyl (E)-3-(1-ethyl-5-phenylmethoxyindol-2-yl)pent-2-enoate
CID 143581896
(1S,2R)-3-(4-methylpiperazin-1-yl)-1-phenyl-1-(5-phenylmethoxyindol-1-yl)propan-2-ol;hydrochloride
CID 69159430
ethyl (E)-3-[1-(2-hydroxyethyl)-5-phenylmethoxyindol-2-yl]prop-2-enoate
CID 66853707

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-phenylmethoxyindol-1-yl)hexanoate?
The IUPAC name of ethyl 2-(5-phenylmethoxyindol-1-yl)hexanoate (CID 66821164) is ethyl 2-(5-phenylmethoxyindol-1-yl)hexanoate.
What is the SMILES notation for ethyl 2-(5-phenylmethoxyindol-1-yl)hexanoate?
The canonical SMILES for ethyl 2-(5-phenylmethoxyindol-1-yl)hexanoate is CCCCC(C(=O)OCC)n1ccc2cc(OCc3ccccc3)ccc21.
What is the InChIKey of ethyl 2-(5-phenylmethoxyindol-1-yl)hexanoate?
The InChIKey is VHBRQMQSIXWOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-3-5-11-22(23(25)26-4-2)24-15-14-19-16-20(12-13-21(19)24)27-17-18-9-7-6-8-10-18/h6-10,12-16,22H,3-5,11,17H2,1-2H3.
What are the key properties of ethyl 2-(5-phenylmethoxyindol-1-yl)hexanoate?
ethyl 2-(5-phenylmethoxyindol-1-yl)hexanoate has a molecular weight of 365.47 g/mol, XLogP of 5.51, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-phenylmethoxyindol-1-yl)hexanoate is sourced from PubChem (CID 66821164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).