3-(4-fluorophenoxy)propyl 3-(1H-indol-3-yl)propanoate

C20H20FNO3 — CID 7169174

IUPAC3-(4-fluorophenoxy)propyl 3-(1H-indol-3-yl)propanoate
SMILESO=C(CCc1c[nH]c2ccccc12)OCCCOc1ccc(F)cc1
InChIInChI=1S/C20H20FNO3/c21-16-7-9-17(10-8-16)24-12-3-13-25-20(23)11-6-15-14-22-19-5-2-1-4-18(15)19/h1-2,4-5,7-10,14,22H,3,6,11-13H2
InChIKeyONJNWCLWXRSFEF-UHFFFAOYSA-N
MW341.38 g/mol
LogP4.25
Rot. Bonds8

About 3-(4-fluorophenoxy)propyl 3-(1H-indol-3-yl)propanoate

3-(4-fluorophenoxy)propyl 3-(1H-indol-3-yl)propanoate (PubChem CID 7169174) has the molecular formula C20H20FNO3 and a molecular weight of 341.38 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)propyl 3-(1H-indol-3-yl)propanoate.

Molecular Properties

Compound Name3-(4-fluorophenoxy)propyl 3-(1H-indol-3-yl)propanoate
PubChem CID7169174
Molecular FormulaC20H20FNO3
Molecular Weight341.38 g/mol
Exact Mass341.14
IUPAC Name3-(4-fluorophenoxy)propyl 3-(1H-indol-3-yl)propanoate
SMILESO=C(CCc1c[nH]c2ccccc12)OCCCOc1ccc(F)cc1
InChIInChI=1S/C20H20FNO3/c21-16-7-9-17(10-8-16)24-12-3-13-25-20(23)11-6-15-14-22-19-5-2-1-4-18(15)19/h1-2,4-5,7-10,14,22H,3,6,11-13H2
InChIKeyONJNWCLWXRSFEF-UHFFFAOYSA-N
XLogP4.25
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

pentyl 3-(1H-indol-3-yl)propanoate
CID 70811312
[2-(4-fluorophenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2146219
2-(2,6-dichlorophenoxy)ethyl 3-(1H-indol-3-yl)propanoate
CID 2472474
N-[4-(4-fluorophenoxy)butyl]-2-(1H-indol-3-yl)acetamide
CID 17405014
[2-(3-fluorophenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 8675713
3-(1H-indol-3-yl)-N-(2-phenoxyethyl)propanamide
CID 4879910
N'-[2-(4-fluorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide
CID 26932809
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 4-(1H-indol-3-yl)butanoate
CID 19290228
[(Z)-[amino-[4-(2-amino-2-oxoethoxy)phenyl]methylidene]amino] 3-(1H-indol-3-yl)propanoate
CID 19298206
ethyl 4-(1H-indol-3-yl)butanoate;hydrochloride
CID 67834075
4-(1H-indol-3-yl)butanamide
CID 588715
(1,3-dioxoisoindol-2-yl)methyl 3-(1H-indol-3-yl)propanoate
CID 5207428

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)propyl 3-(1H-indol-3-yl)propanoate?
The IUPAC name of 3-(4-fluorophenoxy)propyl 3-(1H-indol-3-yl)propanoate (CID 7169174) is 3-(4-fluorophenoxy)propyl 3-(1H-indol-3-yl)propanoate.
What is the SMILES notation for 3-(4-fluorophenoxy)propyl 3-(1H-indol-3-yl)propanoate?
The canonical SMILES for 3-(4-fluorophenoxy)propyl 3-(1H-indol-3-yl)propanoate is O=C(CCc1c[nH]c2ccccc12)OCCCOc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenoxy)propyl 3-(1H-indol-3-yl)propanoate?
The InChIKey is ONJNWCLWXRSFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO3/c21-16-7-9-17(10-8-16)24-12-3-13-25-20(23)11-6-15-14-22-19-5-2-1-4-18(15)19/h1-2,4-5,7-10,14,22H,3,6,11-13H2.
What are the key properties of 3-(4-fluorophenoxy)propyl 3-(1H-indol-3-yl)propanoate?
3-(4-fluorophenoxy)propyl 3-(1H-indol-3-yl)propanoate has a molecular weight of 341.38 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)propyl 3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 7169174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).