2-[4-(4-cyclohexylphenyl)phenyl]-2-methylpropanoic acid

C22H26O2 — CID 11522654

IUPAC2-[4-(4-cyclohexylphenyl)phenyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccc(-c2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C22H26O2/c1-22(2,21(23)24)20-14-12-19(13-15-20)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h8-16H,3-7H2,1-2H3,(H,23,24)
InChIKeyIDGNFGZMILKCDA-UHFFFAOYSA-N
MW322.45 g/mol
LogP5.76
Rot. Bonds4

About 2-[4-(4-cyclohexylphenyl)phenyl]-2-methylpropanoic acid

2-[4-(4-cyclohexylphenyl)phenyl]-2-methylpropanoic acid (PubChem CID 11522654) has the molecular formula C22H26O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-[4-(4-cyclohexylphenyl)phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-(4-cyclohexylphenyl)phenyl]-2-methylpropanoic acid
PubChem CID11522654
Molecular FormulaC22H26O2
Molecular Weight322.45 g/mol
Exact Mass322.19
IUPAC Name2-[4-(4-cyclohexylphenyl)phenyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccc(-c2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C22H26O2/c1-22(2,21(23)24)20-14-12-19(13-15-20)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h8-16H,3-7H2,1-2H3,(H,23,24)
InChIKeyIDGNFGZMILKCDA-UHFFFAOYSA-N
XLogP5.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.45
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-cyclohexylphenyl)-3-methylbutan-2-one
CID 82294466
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1-cyclopentyl-4-(4-cyclopentylphenyl)benzene;hydrogen peroxide
CID 175056737
3-(4-cyclopentylphenyl)-3-methylbutanoic acid
CID 117368480
4-(4-cyclobutylphenyl)benzoic acid
CID 116506494
1-cyclohexyl-4-(4-methylphenyl)benzene
CID 54213441
2-[4-(4-chlorophenyl)phenyl]-2-methylpropanoic acid
CID 82039106
1-cyclohexyl-4-(2-hydroperoxypropan-2-yl)benzene
CID 24843348
2-[4-(cyclohexanecarbonylamino)phenyl]-2-methylpropanoic acid
CID 80549547
2-(4-cyclobutylphenyl)-2-hydroxypropanal
CID 116505401
5-(4-cyclohexylphenyl)pyridine-2-carboxylic acid
CID 63424090
2-tert-butyl-4-(4-cyclohexylphenyl)phenol
CID 19694694

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyclohexylphenyl)phenyl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-(4-cyclohexylphenyl)phenyl]-2-methylpropanoic acid (CID 11522654) is 2-[4-(4-cyclohexylphenyl)phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-(4-cyclohexylphenyl)phenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-(4-cyclohexylphenyl)phenyl]-2-methylpropanoic acid is CC(C)(C(=O)O)c1ccc(-c2ccc(C3CCCCC3)cc2)cc1.
What is the InChIKey of 2-[4-(4-cyclohexylphenyl)phenyl]-2-methylpropanoic acid?
The InChIKey is IDGNFGZMILKCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O2/c1-22(2,21(23)24)20-14-12-19(13-15-20)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h8-16H,3-7H2,1-2H3,(H,23,24).
What are the key properties of 2-[4-(4-cyclohexylphenyl)phenyl]-2-methylpropanoic acid?
2-[4-(4-cyclohexylphenyl)phenyl]-2-methylpropanoic acid has a molecular weight of 322.45 g/mol, XLogP of 5.76, 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)phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 11522654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).