2-[3-[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]cyclobutyl]oxyacetic acid

C21H23FO4 — CID 130365595

IUPAC2-[3-[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]cyclobutyl]oxyacetic acid
SMILESCC(C)Oc1ccc(F)c(-c2ccc(C3CC(OCC(=O)O)C3)cc2)c1
InChIInChI=1S/C21H23FO4/c1-13(2)26-17-7-8-20(22)19(11-17)15-5-3-14(4-6-15)16-9-18(10-16)25-12-21(23)24/h3-8,11,13,16,18H,9-10,12H2,1-2H3,(H,23,24)
InChIKeyRMHPPGJOVRUVSJ-UHFFFAOYSA-N
MW358.41 g/mol
LogP4.63
Rot. Bonds7

About 2-[3-[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]cyclobutyl]oxyacetic acid

2-[3-[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]cyclobutyl]oxyacetic acid (PubChem CID 130365595) has the molecular formula C21H23FO4 and a molecular weight of 358.41 g/mol. Its IUPAC name is 2-[3-[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]cyclobutyl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]cyclobutyl]oxyacetic acid
PubChem CID130365595
Molecular FormulaC21H23FO4
Molecular Weight358.41 g/mol
Exact Mass358.16
IUPAC Name2-[3-[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]cyclobutyl]oxyacetic acid
SMILESCC(C)Oc1ccc(F)c(-c2ccc(C3CC(OCC(=O)O)C3)cc2)c1
InChIInChI=1S/C21H23FO4/c1-13(2)26-17-7-8-20(22)19(11-17)15-5-3-14(4-6-15)16-9-18(10-16)25-12-21(23)24/h3-8,11,13,16,18H,9-10,12H2,1-2H3,(H,23,24)
InChIKeyRMHPPGJOVRUVSJ-UHFFFAOYSA-N
XLogP4.63
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]cyclobutyl]oxyacetic acid?
The IUPAC name of 2-[3-[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]cyclobutyl]oxyacetic acid (CID 130365595) is 2-[3-[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]cyclobutyl]oxyacetic acid.
What is the SMILES notation for 2-[3-[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]cyclobutyl]oxyacetic acid?
The canonical SMILES for 2-[3-[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]cyclobutyl]oxyacetic acid is CC(C)Oc1ccc(F)c(-c2ccc(C3CC(OCC(=O)O)C3)cc2)c1.
What is the InChIKey of 2-[3-[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]cyclobutyl]oxyacetic acid?
The InChIKey is RMHPPGJOVRUVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FO4/c1-13(2)26-17-7-8-20(22)19(11-17)15-5-3-14(4-6-15)16-9-18(10-16)25-12-21(23)24/h3-8,11,13,16,18H,9-10,12H2,1-2H3,(H,23,24).
What are the key properties of 2-[3-[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]cyclobutyl]oxyacetic acid?
2-[3-[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]cyclobutyl]oxyacetic acid has a molecular weight of 358.41 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]cyclobutyl]oxyacetic acid is sourced from PubChem (CID 130365595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).