3-[4-(3-fluorooxolan-3-yl)phenyl]propanoic acid

C13H15FO3 — CID 84727689

IUPAC3-[4-(3-fluorooxolan-3-yl)phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(C2(F)CCOC2)cc1
InChIInChI=1S/C13H15FO3/c14-13(7-8-17-9-13)11-4-1-10(2-5-11)3-6-12(15)16/h1-2,4-5H,3,6-9H2,(H,15,16)
InChIKeyZWHFBPSTAJTGTP-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.29
Rot. Bonds4

About 3-[4-(3-fluorooxolan-3-yl)phenyl]propanoic acid

3-[4-(3-fluorooxolan-3-yl)phenyl]propanoic acid (PubChem CID 84727689) has the molecular formula C13H15FO3 and a molecular weight of 238.26 g/mol. Its IUPAC name is 3-[4-(3-fluorooxolan-3-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-(3-fluorooxolan-3-yl)phenyl]propanoic acid
PubChem CID84727689
Molecular FormulaC13H15FO3
Molecular Weight238.26 g/mol
Exact Mass238.10
IUPAC Name3-[4-(3-fluorooxolan-3-yl)phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(C2(F)CCOC2)cc1
InChIInChI=1S/C13H15FO3/c14-13(7-8-17-9-13)11-4-1-10(2-5-11)3-6-12(15)16/h1-2,4-5H,3,6-9H2,(H,15,16)
InChIKeyZWHFBPSTAJTGTP-UHFFFAOYSA-N
XLogP2.29
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(3-fluorooxolan-3-yl)phenyl]-N-methylethanamine
CID 84725250
3-fluoro-3-phenyloxolane
CID 84717126
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CID 84725016
3-[4-(1-methoxycyclopropyl)phenyl]propanoic acid
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3-[4-(oxetan-3-ylmethyl)phenyl]propanoic acid
CID 115004684
ethane;3-(4-fluorophenyl)propanoic acid
CID 142046245
oxane;3-phenylpropanoic acid
CID 175586375
3-[4-[(4,4-difluorocyclohexanecarbonyl)amino]phenyl]propanoic acid
CID 99819377
3-[4-(2-phenylethyl)phenyl]propanoic acid
CID 54586982
3-(4-hydroperoxyphenyl)propanoic acid
CID 87907656
3-[4-(2,5-dihydropyrrol-1-yl)phenyl]propanoic acid
CID 115341063
3-[4-(morpholine-4-carbonyl)phenyl]propanoic acid
CID 28760123

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluorooxolan-3-yl)phenyl]propanoic acid?
The IUPAC name of 3-[4-(3-fluorooxolan-3-yl)phenyl]propanoic acid (CID 84727689) is 3-[4-(3-fluorooxolan-3-yl)phenyl]propanoic acid.
What is the SMILES notation for 3-[4-(3-fluorooxolan-3-yl)phenyl]propanoic acid?
The canonical SMILES for 3-[4-(3-fluorooxolan-3-yl)phenyl]propanoic acid is O=C(O)CCc1ccc(C2(F)CCOC2)cc1.
What is the InChIKey of 3-[4-(3-fluorooxolan-3-yl)phenyl]propanoic acid?
The InChIKey is ZWHFBPSTAJTGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO3/c14-13(7-8-17-9-13)11-4-1-10(2-5-11)3-6-12(15)16/h1-2,4-5H,3,6-9H2,(H,15,16).
What are the key properties of 3-[4-(3-fluorooxolan-3-yl)phenyl]propanoic acid?
3-[4-(3-fluorooxolan-3-yl)phenyl]propanoic acid has a molecular weight of 238.26 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-fluorooxolan-3-yl)phenyl]propanoic acid is sourced from PubChem (CID 84727689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).