3-(5-phenylmethoxyindol-1-yl)propanoic acid

C18H17NO3 — CID 22570271

IUPAC3-(5-phenylmethoxyindol-1-yl)propanoic acid
SMILESO=C(O)CCn1ccc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C18H17NO3/c20-18(21)9-11-19-10-8-15-12-16(6-7-17(15)19)22-13-14-4-2-1-3-5-14/h1-8,10,12H,9,11,13H2,(H,20,21)
InChIKeyVGRZZZKWULRNPM-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.69
Rot. Bonds6

About 3-(5-phenylmethoxyindol-1-yl)propanoic acid

3-(5-phenylmethoxyindol-1-yl)propanoic acid (PubChem CID 22570271) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-(5-phenylmethoxyindol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-phenylmethoxyindol-1-yl)propanoic acid
PubChem CID22570271
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name3-(5-phenylmethoxyindol-1-yl)propanoic acid
SMILESO=C(O)CCn1ccc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C18H17NO3/c20-18(21)9-11-19-10-8-15-12-16(6-7-17(15)19)22-13-14-4-2-1-3-5-14/h1-8,10,12H,9,11,13H2,(H,20,21)
InChIKeyVGRZZZKWULRNPM-UHFFFAOYSA-N
XLogP3.69
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-(2-phenylethyl)-5-phenylmethoxyindole
CID 145371075
methyl 2-(5-phenylmethoxyindol-1-yl)acetate
CID 20770836
N-[3-(5-phenylmethoxyindol-1-yl)propyl]methanesulfonamide
CID 177163810
2-(5-phenylmethoxyindol-1-yl)-N-propan-2-ylacetamide
CID 39314820
trimethyl-[4-[7-(5-phenylmethoxyindol-1-yl)heptoxycarbonyl]phenyl]azanium
CID 10995751
2-(5-phenylmethoxyindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 45493262
3-[5-[[2-(4-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]indol-1-yl]propanoic acid
CID 11487863
1-(4-methylsulfonylpiperazin-1-yl)-2-(5-phenylmethoxyindol-1-yl)ethanone
CID 45495139
4-methylsulfanyl-2-[[2-(5-phenylmethoxyindol-1-yl)acetyl]amino]butanoic acid
CID 75117736
4-[5-[(7-chloroquinolin-2-yl)methoxy]indol-1-yl]butanoic acid
CID 141109242
3-(5-methoxyindol-1-yl)propanamide
CID 116619447
1-ethyl-5-[(4-methylphenyl)methoxy]indole
CID 141116248

Frequently Asked Questions

What is the IUPAC name of 3-(5-phenylmethoxyindol-1-yl)propanoic acid?
The IUPAC name of 3-(5-phenylmethoxyindol-1-yl)propanoic acid (CID 22570271) is 3-(5-phenylmethoxyindol-1-yl)propanoic acid.
What is the SMILES notation for 3-(5-phenylmethoxyindol-1-yl)propanoic acid?
The canonical SMILES for 3-(5-phenylmethoxyindol-1-yl)propanoic acid is O=C(O)CCn1ccc2cc(OCc3ccccc3)ccc21.
What is the InChIKey of 3-(5-phenylmethoxyindol-1-yl)propanoic acid?
The InChIKey is VGRZZZKWULRNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c20-18(21)9-11-19-10-8-15-12-16(6-7-17(15)19)22-13-14-4-2-1-3-5-14/h1-8,10,12H,9,11,13H2,(H,20,21).
What are the key properties of 3-(5-phenylmethoxyindol-1-yl)propanoic acid?
3-(5-phenylmethoxyindol-1-yl)propanoic acid has a molecular weight of 295.34 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenylmethoxyindol-1-yl)propanoic acid is sourced from PubChem (CID 22570271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).