3-[3-(2,5-dimethylphenyl)phenyl]propanoic acid

C17H18O2 — CID 82120152

IUPAC3-[3-(2,5-dimethylphenyl)phenyl]propanoic acid
SMILESCc1ccc(C)c(-c2cccc(CCC(=O)O)c2)c1
InChIInChI=1S/C17H18O2/c1-12-6-7-13(2)16(10-12)15-5-3-4-14(11-15)8-9-17(18)19/h3-7,10-11H,8-9H2,1-2H3,(H,18,19)
InChIKeyVATLTGOLVAWVIJ-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.99
Rot. Bonds4

About 3-[3-(2,5-dimethylphenyl)phenyl]propanoic acid

3-[3-(2,5-dimethylphenyl)phenyl]propanoic acid (PubChem CID 82120152) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[3-(2,5-dimethylphenyl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-(2,5-dimethylphenyl)phenyl]propanoic acid
PubChem CID82120152
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name3-[3-(2,5-dimethylphenyl)phenyl]propanoic acid
SMILESCc1ccc(C)c(-c2cccc(CCC(=O)O)c2)c1
InChIInChI=1S/C17H18O2/c1-12-6-7-13(2)16(10-12)15-5-3-4-14(11-15)8-9-17(18)19/h3-7,10-11H,8-9H2,1-2H3,(H,18,19)
InChIKeyVATLTGOLVAWVIJ-UHFFFAOYSA-N
XLogP3.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[3-(2-hydroxy-5-methylphenyl)phenyl]propanoic acid
CID 68870156
1,4-dimethyl-2-(3-propylphenyl)benzene
CID 173395390
3-[3-(2,5-dimethylphenyl)phenoxy]propanoic acid
CID 39369428
3-(2,5-dimethylphenyl)benzoic acid
CID 39246828
4-[3-(2-methoxy-5-methylphenyl)phenyl]butan-2-one
CID 82541048
2-[4-(2,5-dimethylphenyl)phenyl]acetic acid
CID 82044426
3-[4-[[3-(4-methylphenyl)phenyl]methylamino]phenyl]propanoic acid
CID 54583099
4-methyl-2-(3-propylphenyl)phenol
CID 116546527
1-(2,5-dimethylphenyl)-3-(3-methylphenyl)propan-1-one
CID 24725684
3-[benzyl-[(1R)-1-phenylethyl]amino]-3-[3-(2,5-dimethylphenyl)phenyl]propanoic acid
CID 135366625
(E)-3-methyl-5-[3-(4-methylphenyl)phenyl]pent-2-enoic acid
CID 82544146
4-(3-methylphenyl)-2-oxobutanoic acid
CID 82185755

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,5-dimethylphenyl)phenyl]propanoic acid?
The IUPAC name of 3-[3-(2,5-dimethylphenyl)phenyl]propanoic acid (CID 82120152) is 3-[3-(2,5-dimethylphenyl)phenyl]propanoic acid.
What is the SMILES notation for 3-[3-(2,5-dimethylphenyl)phenyl]propanoic acid?
The canonical SMILES for 3-[3-(2,5-dimethylphenyl)phenyl]propanoic acid is Cc1ccc(C)c(-c2cccc(CCC(=O)O)c2)c1.
What is the InChIKey of 3-[3-(2,5-dimethylphenyl)phenyl]propanoic acid?
The InChIKey is VATLTGOLVAWVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-12-6-7-13(2)16(10-12)15-5-3-4-14(11-15)8-9-17(18)19/h3-7,10-11H,8-9H2,1-2H3,(H,18,19).
What are the key properties of 3-[3-(2,5-dimethylphenyl)phenyl]propanoic acid?
3-[3-(2,5-dimethylphenyl)phenyl]propanoic acid has a molecular weight of 254.33 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,5-dimethylphenyl)phenyl]propanoic acid is sourced from PubChem (CID 82120152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).