2-[4-(4-cyclohexylphenyl)-3-fluorophenyl]-2-methylpropanoic acid

C22H25FO2 — CID 11602549

IUPAC2-[4-(4-cyclohexylphenyl)-3-fluorophenyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccc(-c2ccc(C3CCCCC3)cc2)c(F)c1
InChIInChI=1S/C22H25FO2/c1-22(2,21(24)25)18-12-13-19(20(23)14-18)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-15H,3-7H2,1-2H3,(H,24,25)
InChIKeyBRRLRVSLZIYEQP-UHFFFAOYSA-N
MW340.44 g/mol
LogP5.90
Rot. Bonds4

About 2-[4-(4-cyclohexylphenyl)-3-fluorophenyl]-2-methylpropanoic acid

2-[4-(4-cyclohexylphenyl)-3-fluorophenyl]-2-methylpropanoic acid (PubChem CID 11602549) has the molecular formula C22H25FO2 and a molecular weight of 340.44 g/mol. Its IUPAC name is 2-[4-(4-cyclohexylphenyl)-3-fluorophenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-(4-cyclohexylphenyl)-3-fluorophenyl]-2-methylpropanoic acid
PubChem CID11602549
Molecular FormulaC22H25FO2
Molecular Weight340.44 g/mol
Exact Mass340.18
IUPAC Name2-[4-(4-cyclohexylphenyl)-3-fluorophenyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccc(-c2ccc(C3CCCCC3)cc2)c(F)c1
InChIInChI=1S/C22H25FO2/c1-22(2,21(24)25)18-12-13-19(20(23)14-18)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-15H,3-7H2,1-2H3,(H,24,25)
InChIKeyBRRLRVSLZIYEQP-UHFFFAOYSA-N
XLogP5.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.44
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyclohexylphenyl)-3-fluorophenyl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-(4-cyclohexylphenyl)-3-fluorophenyl]-2-methylpropanoic acid (CID 11602549) is 2-[4-(4-cyclohexylphenyl)-3-fluorophenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-(4-cyclohexylphenyl)-3-fluorophenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-(4-cyclohexylphenyl)-3-fluorophenyl]-2-methylpropanoic acid is CC(C)(C(=O)O)c1ccc(-c2ccc(C3CCCCC3)cc2)c(F)c1.
What is the InChIKey of 2-[4-(4-cyclohexylphenyl)-3-fluorophenyl]-2-methylpropanoic acid?
The InChIKey is BRRLRVSLZIYEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FO2/c1-22(2,21(24)25)18-12-13-19(20(23)14-18)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-15H,3-7H2,1-2H3,(H,24,25).
What are the key properties of 2-[4-(4-cyclohexylphenyl)-3-fluorophenyl]-2-methylpropanoic acid?
2-[4-(4-cyclohexylphenyl)-3-fluorophenyl]-2-methylpropanoic acid has a molecular weight of 340.44 g/mol, XLogP of 5.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyclohexylphenyl)-3-fluorophenyl]-2-methylpropanoic acid is sourced from PubChem (CID 11602549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).