4-[4-(4-chloro-2-fluorophenyl)phenyl]-4-hydroxybutanoic acid

C16H14ClFO3 — CID 21437914

IUPAC4-[4-(4-chloro-2-fluorophenyl)phenyl]-4-hydroxybutanoic acid
SMILESO=C(O)CCC(O)c1ccc(-c2ccc(Cl)cc2F)cc1
InChIInChI=1S/C16H14ClFO3/c17-12-5-6-13(14(18)9-12)10-1-3-11(4-2-10)15(19)7-8-16(20)21/h1-6,9,15,19H,7-8H2,(H,20,21)
InChIKeyRUPUWQIEGGWPHF-UHFFFAOYSA-N
MW308.74 g/mol
LogP4.04
Rot. Bonds5

About 4-[4-(4-chloro-2-fluorophenyl)phenyl]-4-hydroxybutanoic acid

4-[4-(4-chloro-2-fluorophenyl)phenyl]-4-hydroxybutanoic acid (PubChem CID 21437914) has the molecular formula C16H14ClFO3 and a molecular weight of 308.74 g/mol. Its IUPAC name is 4-[4-(4-chloro-2-fluorophenyl)phenyl]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[4-(4-chloro-2-fluorophenyl)phenyl]-4-hydroxybutanoic acid
PubChem CID21437914
Molecular FormulaC16H14ClFO3
Molecular Weight308.74 g/mol
Exact Mass308.06
IUPAC Name4-[4-(4-chloro-2-fluorophenyl)phenyl]-4-hydroxybutanoic acid
SMILESO=C(O)CCC(O)c1ccc(-c2ccc(Cl)cc2F)cc1
InChIInChI=1S/C16H14ClFO3/c17-12-5-6-13(14(18)9-12)10-1-3-11(4-2-10)15(19)7-8-16(20)21/h1-6,9,15,19H,7-8H2,(H,20,21)
InChIKeyRUPUWQIEGGWPHF-UHFFFAOYSA-N
XLogP4.04
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Biphenylcarboxylic acid, 4'-chloro-
CID 616002
Lithium 4-hydroxy-4-(4-phenylphenyl)butanoate
CID 25178170
lithium 4-[4-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]-4-hydroxybutanoate
CID 25178372
lithium 4-[4-[(E)-2-(2-chlorophenyl)ethenyl]phenyl]-4-hydroxybutanoate
CID 25180872
4'-Chloro-3'-fluoro[1,1'-biphenyl]-4-carboxylic acid
CID 2757572
3-(4-Chlorophenyl)-3-hydroxypropanoic acid
CID 11390037
1-[4-(4-Chlorophenyl)phenyl]hexane-1,6-diol
CID 49866168
3-((1,1'-Biphenyl)-4-yl)-3-(4-chlorophenyl)-3-hydroxypropanoic acid
CID 3054480
Hydracrylic acid, 3-(p-chlorophenyl)-2-(p-cyclohexylphenyl)-, (R*,R*)-(-)-
CID 13153068
Hydracrylic acid, 3-(p-chlorophenyl)-2-(p-cyclohexylphenyl)-, (R*,S*)-(-)-
CID 13153069
Hydracrylic acid, 3-(p-chlorophenyl)-2-(p-cyclohexylphenyl)-, (R*,R*)-(+)-
CID 24838740
Hydracrylic acid, 3-(p-chlorophenyl)-2-(p-cyclohexylphenyl)-, (R*,S*)-(+)-
CID 101028793

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chloro-2-fluorophenyl)phenyl]-4-hydroxybutanoic acid?
The IUPAC name of 4-[4-(4-chloro-2-fluorophenyl)phenyl]-4-hydroxybutanoic acid (CID 21437914) is 4-[4-(4-chloro-2-fluorophenyl)phenyl]-4-hydroxybutanoic acid.
What is the SMILES notation for 4-[4-(4-chloro-2-fluorophenyl)phenyl]-4-hydroxybutanoic acid?
The canonical SMILES for 4-[4-(4-chloro-2-fluorophenyl)phenyl]-4-hydroxybutanoic acid is O=C(O)CCC(O)c1ccc(-c2ccc(Cl)cc2F)cc1.
What is the InChIKey of 4-[4-(4-chloro-2-fluorophenyl)phenyl]-4-hydroxybutanoic acid?
The InChIKey is RUPUWQIEGGWPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO3/c17-12-5-6-13(14(18)9-12)10-1-3-11(4-2-10)15(19)7-8-16(20)21/h1-6,9,15,19H,7-8H2,(H,20,21).
What are the key properties of 4-[4-(4-chloro-2-fluorophenyl)phenyl]-4-hydroxybutanoic acid?
4-[4-(4-chloro-2-fluorophenyl)phenyl]-4-hydroxybutanoic acid has a molecular weight of 308.74 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chloro-2-fluorophenyl)phenyl]-4-hydroxybutanoic acid is sourced from PubChem (CID 21437914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).