3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3,5-difluorophenyl]propanoic acid

C18H16F2O3 — CID 23136387

IUPAC3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3,5-difluorophenyl]propanoic acid
SMILESO=C(O)CCc1cc(F)c(OC2CCc3ccccc32)c(F)c1
InChIInChI=1S/C18H16F2O3/c19-14-9-11(5-8-17(21)22)10-15(20)18(14)23-16-7-6-12-3-1-2-4-13(12)16/h1-4,9-10,16H,5-8H2,(H,21,22)
InChIKeyKHEOUJNMDQJRKJ-UHFFFAOYSA-N
MW318.32 g/mol
LogP4.05
Rot. Bonds5

About 3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3,5-difluorophenyl]propanoic acid

3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3,5-difluorophenyl]propanoic acid (PubChem CID 23136387) has the molecular formula C18H16F2O3 and a molecular weight of 318.32 g/mol. Its IUPAC name is 3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3,5-difluorophenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3,5-difluorophenyl]propanoic acid
PubChem CID23136387
Molecular FormulaC18H16F2O3
Molecular Weight318.32 g/mol
Exact Mass318.11
IUPAC Name3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3,5-difluorophenyl]propanoic acid
SMILESO=C(O)CCc1cc(F)c(OC2CCc3ccccc32)c(F)c1
InChIInChI=1S/C18H16F2O3/c19-14-9-11(5-8-17(21)22)10-15(20)18(14)23-16-7-6-12-3-1-2-4-13(12)16/h1-4,9-10,16H,5-8H2,(H,21,22)
InChIKeyKHEOUJNMDQJRKJ-UHFFFAOYSA-N
XLogP4.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 54.05
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)-3,5-difluorophenyl]propanoic acid?
The IUPAC name of 3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3,5-difluorophenyl]propanoic acid (CID 23136387) is 3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3,5-difluorophenyl]propanoic acid.
What is the SMILES notation for 3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3,5-difluorophenyl]propanoic acid?
The canonical SMILES for 3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3,5-difluorophenyl]propanoic acid is O=C(O)CCc1cc(F)c(OC2CCc3ccccc32)c(F)c1.
What is the InChIKey of 3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3,5-difluorophenyl]propanoic acid?
The InChIKey is KHEOUJNMDQJRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2O3/c19-14-9-11(5-8-17(21)22)10-15(20)18(14)23-16-7-6-12-3-1-2-4-13(12)16/h1-4,9-10,16H,5-8H2,(H,21,22).
What are the key properties of 3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3,5-difluorophenyl]propanoic acid?
3-[4-(2,3-dihydro-1H-inden-1-yloxy)-3,5-difluorophenyl]propanoic acid has a molecular weight of 318.32 g/mol, XLogP of 4.05, 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)-3,5-difluorophenyl]propanoic acid is sourced from PubChem (CID 23136387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).