3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3-fluorophenyl]propanoic acid

C18H17FO3 — CID 23136523

IUPAC3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3-fluorophenyl]propanoic acid
SMILESO=C(O)CCc1ccc(OC2CCc3ccccc32)c(F)c1
InChIInChI=1S/C18H17FO3/c19-15-11-12(6-10-18(20)21)5-8-17(15)22-16-9-7-13-3-1-2-4-14(13)16/h1-5,8,11,16H,6-7,9-10H2,(H,20,21)
InChIKeyUASSVTJSFHSDIT-UHFFFAOYSA-N
MW300.33 g/mol
LogP3.91
Rot. Bonds5

About 3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3-fluorophenyl]propanoic acid

3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3-fluorophenyl]propanoic acid (PubChem CID 23136523) has the molecular formula C18H17FO3 and a molecular weight of 300.33 g/mol. Its IUPAC name is 3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3-fluorophenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3-fluorophenyl]propanoic acid
PubChem CID23136523
Molecular FormulaC18H17FO3
Molecular Weight300.33 g/mol
Exact Mass300.12
IUPAC Name3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3-fluorophenyl]propanoic acid
SMILESO=C(O)CCc1ccc(OC2CCc3ccccc32)c(F)c1
InChIInChI=1S/C18H17FO3/c19-15-11-12(6-10-18(20)21)5-8-17(15)22-16-9-7-13-3-1-2-4-14(13)16/h1-5,8,11,16H,6-7,9-10H2,(H,20,21)
InChIKeyUASSVTJSFHSDIT-UHFFFAOYSA-N
XLogP3.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3-fluorophenyl]propanoic acid?
The IUPAC name of 3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3-fluorophenyl]propanoic acid (CID 23136523) is 3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3-fluorophenyl]propanoic acid.
What is the SMILES notation for 3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3-fluorophenyl]propanoic acid?
The canonical SMILES for 3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3-fluorophenyl]propanoic acid is O=C(O)CCc1ccc(OC2CCc3ccccc32)c(F)c1.
What is the InChIKey of 3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3-fluorophenyl]propanoic acid?
The InChIKey is UASSVTJSFHSDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FO3/c19-15-11-12(6-10-18(20)21)5-8-17(15)22-16-9-7-13-3-1-2-4-14(13)16/h1-5,8,11,16H,6-7,9-10H2,(H,20,21).
What are the key properties of 3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3-fluorophenyl]propanoic acid?
3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3-fluorophenyl]propanoic acid has a molecular weight of 300.33 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3-fluorophenyl]propanoic acid is sourced from PubChem (CID 23136523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).