2-[4-(2,3-dimethylphenyl)phenyl]-2-methylpropanoic acid

C18H20O2 — CID 82092597

IUPAC2-[4-(2,3-dimethylphenyl)phenyl]-2-methylpropanoic acid
SMILESCc1cccc(-c2ccc(C(C)(C)C(=O)O)cc2)c1C
InChIInChI=1S/C18H20O2/c1-12-6-5-7-16(13(12)2)14-8-10-15(11-9-14)18(3,4)17(19)20/h5-11H,1-4H3,(H,19,20)
InChIKeyQLLNVZZOPUSDFX-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.33
Rot. Bonds3

About 2-[4-(2,3-dimethylphenyl)phenyl]-2-methylpropanoic acid

2-[4-(2,3-dimethylphenyl)phenyl]-2-methylpropanoic acid (PubChem CID 82092597) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[4-(2,3-dimethylphenyl)phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-(2,3-dimethylphenyl)phenyl]-2-methylpropanoic acid
PubChem CID82092597
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name2-[4-(2,3-dimethylphenyl)phenyl]-2-methylpropanoic acid
SMILESCc1cccc(-c2ccc(C(C)(C)C(=O)O)cc2)c1C
InChIInChI=1S/C18H20O2/c1-12-6-5-7-16(13(12)2)14-8-10-15(11-9-14)18(3,4)17(19)20/h5-11H,1-4H3,(H,19,20)
InChIKeyQLLNVZZOPUSDFX-UHFFFAOYSA-N
XLogP4.33
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

carbonic acid;1,2-dimethyl-3-phenylbenzene
CID 67785413
1,2-dimethyl-3-phenylbenzene;ethane
CID 90738674
1,1'-biphenyl;1,2-dimethyl-3-phenylbenzene
CID 173440409
1-[4-(2,3-dimethylphenyl)phenyl]propan-2-one
CID 114081436
(E)-3-[4-(2,3-dimethylphenyl)phenyl]but-2-enoic acid
CID 82092013
2-[4-(4-chlorophenyl)phenyl]-2-methylpropanoic acid
CID 82039106
2-[4-(3-chlorophenyl)phenyl]-2-methylpropanoic acid
CID 10236331
1-(4-iodophenyl)-2,3-dimethylbenzene
CID 20871963
4-(2,3-dimethylphenyl)benzaldehyde
CID 53426139
2-[4-(2-methoxy-5-methylphenyl)phenyl]-2-methylpropanoic acid
CID 82039191
magnesium;hydride;2-methyl-2-phenylpropanoic acid
CID 174669783
1,2-dimethyl-3-[2-(4-phenylphenyl)phenyl]benzene
CID 171799040

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dimethylphenyl)phenyl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-(2,3-dimethylphenyl)phenyl]-2-methylpropanoic acid (CID 82092597) is 2-[4-(2,3-dimethylphenyl)phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-(2,3-dimethylphenyl)phenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-(2,3-dimethylphenyl)phenyl]-2-methylpropanoic acid is Cc1cccc(-c2ccc(C(C)(C)C(=O)O)cc2)c1C.
What is the InChIKey of 2-[4-(2,3-dimethylphenyl)phenyl]-2-methylpropanoic acid?
The InChIKey is QLLNVZZOPUSDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-12-6-5-7-16(13(12)2)14-8-10-15(11-9-14)18(3,4)17(19)20/h5-11H,1-4H3,(H,19,20).
What are the key properties of 2-[4-(2,3-dimethylphenyl)phenyl]-2-methylpropanoic acid?
2-[4-(2,3-dimethylphenyl)phenyl]-2-methylpropanoic acid has a molecular weight of 268.36 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dimethylphenyl)phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 82092597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).