3-[4-fluoro-3-(4-hydroxyphenyl)phenyl]butanoic acid

C16H15FO3 — CID 82543299

IUPAC3-[4-fluoro-3-(4-hydroxyphenyl)phenyl]butanoic acid
SMILESCC(CC(=O)O)c1ccc(F)c(-c2ccc(O)cc2)c1
InChIInChI=1S/C16H15FO3/c1-10(8-16(19)20)12-4-7-15(17)14(9-12)11-2-5-13(18)6-3-11/h2-7,9-10,18H,8H2,1H3,(H,19,20)
InChIKeyWABVMKQCTBXHGG-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.78
Rot. Bonds4

About 3-[4-fluoro-3-(4-hydroxyphenyl)phenyl]butanoic acid

3-[4-fluoro-3-(4-hydroxyphenyl)phenyl]butanoic acid (PubChem CID 82543299) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is 3-[4-fluoro-3-(4-hydroxyphenyl)phenyl]butanoic acid.

Molecular Properties

Compound Name3-[4-fluoro-3-(4-hydroxyphenyl)phenyl]butanoic acid
PubChem CID82543299
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name3-[4-fluoro-3-(4-hydroxyphenyl)phenyl]butanoic acid
SMILESCC(CC(=O)O)c1ccc(F)c(-c2ccc(O)cc2)c1
InChIInChI=1S/C16H15FO3/c1-10(8-16(19)20)12-4-7-15(17)14(9-12)11-2-5-13(18)6-3-11/h2-7,9-10,18H,8H2,1H3,(H,19,20)
InChIKeyWABVMKQCTBXHGG-UHFFFAOYSA-N
XLogP3.78
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-3-(4-hydroxyphenyl)phenyl]butanoic acid?
The IUPAC name of 3-[4-fluoro-3-(4-hydroxyphenyl)phenyl]butanoic acid (CID 82543299) is 3-[4-fluoro-3-(4-hydroxyphenyl)phenyl]butanoic acid.
What is the SMILES notation for 3-[4-fluoro-3-(4-hydroxyphenyl)phenyl]butanoic acid?
The canonical SMILES for 3-[4-fluoro-3-(4-hydroxyphenyl)phenyl]butanoic acid is CC(CC(=O)O)c1ccc(F)c(-c2ccc(O)cc2)c1.
What is the InChIKey of 3-[4-fluoro-3-(4-hydroxyphenyl)phenyl]butanoic acid?
The InChIKey is WABVMKQCTBXHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c1-10(8-16(19)20)12-4-7-15(17)14(9-12)11-2-5-13(18)6-3-11/h2-7,9-10,18H,8H2,1H3,(H,19,20).
What are the key properties of 3-[4-fluoro-3-(4-hydroxyphenyl)phenyl]butanoic acid?
3-[4-fluoro-3-(4-hydroxyphenyl)phenyl]butanoic acid has a molecular weight of 274.29 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-3-(4-hydroxyphenyl)phenyl]butanoic acid is sourced from PubChem (CID 82543299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).