4-[4-(4-chlorophenyl)-2-fluorophenyl]-4-hydroxybutanoic acid

C16H14ClFO3 — CID 21180589

IUPAC4-[4-(4-chlorophenyl)-2-fluorophenyl]-4-hydroxybutanoic acid
SMILESO=C(O)CCC(O)c1ccc(-c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C16H14ClFO3/c17-12-4-1-10(2-5-12)11-3-6-13(14(18)9-11)15(19)7-8-16(20)21/h1-6,9,15,19H,7-8H2,(H,20,21)
InChIKeyBUGXPLJYZQBNFU-UHFFFAOYSA-N
MW308.74 g/mol
LogP4.04
Rot. Bonds5

About 4-[4-(4-chlorophenyl)-2-fluorophenyl]-4-hydroxybutanoic acid

4-[4-(4-chlorophenyl)-2-fluorophenyl]-4-hydroxybutanoic acid (PubChem CID 21180589) has the molecular formula C16H14ClFO3 and a molecular weight of 308.74 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)-2-fluorophenyl]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)-2-fluorophenyl]-4-hydroxybutanoic acid
PubChem CID21180589
Molecular FormulaC16H14ClFO3
Molecular Weight308.74 g/mol
Exact Mass308.06
IUPAC Name4-[4-(4-chlorophenyl)-2-fluorophenyl]-4-hydroxybutanoic acid
SMILESO=C(O)CCC(O)c1ccc(-c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C16H14ClFO3/c17-12-4-1-10(2-5-12)11-3-6-13(14(18)9-11)15(19)7-8-16(20)21/h1-6,9,15,19H,7-8H2,(H,20,21)
InChIKeyBUGXPLJYZQBNFU-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

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CID 3054480
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CID 24838740
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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)-2-fluorophenyl]-4-hydroxybutanoic acid?
The IUPAC name of 4-[4-(4-chlorophenyl)-2-fluorophenyl]-4-hydroxybutanoic acid (CID 21180589) is 4-[4-(4-chlorophenyl)-2-fluorophenyl]-4-hydroxybutanoic acid.
What is the SMILES notation for 4-[4-(4-chlorophenyl)-2-fluorophenyl]-4-hydroxybutanoic acid?
The canonical SMILES for 4-[4-(4-chlorophenyl)-2-fluorophenyl]-4-hydroxybutanoic acid is O=C(O)CCC(O)c1ccc(-c2ccc(Cl)cc2)cc1F.
What is the InChIKey of 4-[4-(4-chlorophenyl)-2-fluorophenyl]-4-hydroxybutanoic acid?
The InChIKey is BUGXPLJYZQBNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO3/c17-12-4-1-10(2-5-12)11-3-6-13(14(18)9-11)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-chlorophenyl)-2-fluorophenyl]-4-hydroxybutanoic acid?
4-[4-(4-chlorophenyl)-2-fluorophenyl]-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-chlorophenyl)-2-fluorophenyl]-4-hydroxybutanoic acid is sourced from PubChem (CID 21180589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).