2-[2-methyl-5-[3-(4-methylphenyl)phenyl]phenyl]acetic acid

C22H20O2 — CID 68810177

IUPAC2-[2-methyl-5-[3-(4-methylphenyl)phenyl]phenyl]acetic acid
SMILESCc1ccc(-c2cccc(-c3ccc(C)c(CC(=O)O)c3)c2)cc1
InChIInChI=1S/C22H20O2/c1-15-6-9-17(10-7-15)18-4-3-5-19(12-18)20-11-8-16(2)21(13-20)14-22(23)24/h3-13H,14H2,1-2H3,(H,23,24)
InChIKeyRDLHTUQEHLWXTR-UHFFFAOYSA-N
MW316.40 g/mol
LogP5.26
Rot. Bonds4

About 2-[2-methyl-5-[3-(4-methylphenyl)phenyl]phenyl]acetic acid

2-[2-methyl-5-[3-(4-methylphenyl)phenyl]phenyl]acetic acid (PubChem CID 68810177) has the molecular formula C22H20O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-[2-methyl-5-[3-(4-methylphenyl)phenyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-methyl-5-[3-(4-methylphenyl)phenyl]phenyl]acetic acid
PubChem CID68810177
Molecular FormulaC22H20O2
Molecular Weight316.40 g/mol
Exact Mass316.15
IUPAC Name2-[2-methyl-5-[3-(4-methylphenyl)phenyl]phenyl]acetic acid
SMILESCc1ccc(-c2cccc(-c3ccc(C)c(CC(=O)O)c3)c2)cc1
InChIInChI=1S/C22H20O2/c1-15-6-9-17(10-7-15)18-4-3-5-19(12-18)20-11-8-16(2)21(13-20)14-22(23)24/h3-13H,14H2,1-2H3,(H,23,24)
InChIKeyRDLHTUQEHLWXTR-UHFFFAOYSA-N
XLogP5.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.40
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-1-methyl-4-(4-methylphenyl)benzene
CID 59090118
2-[4-(4-hydroxyphenyl)-2-methylphenyl]acetic acid
CID 69250677
3-methoxy-2-[(2-methyl-5-phenylphenyl)methyl]but-2-enoic acid
CID 139879847
1-[3-[3-(hydroxymethyl)-4-methylphenyl]phenyl]ethanone
CID 144853232
[2-methyl-5-(4-methylphenyl)phenyl]methanamine
CID 115027522
2-(2-fluoro-5-phenylphenyl)acetic acid
CID 46314800
1-methyl-3,5-bis[3-(4-methylphenyl)phenyl]benzene
CID 59552733
1,1'-biphenyl;1,3-diphenylbenzene;1,4-diphenylbenzene;ethane;toluene
CID 165006736
1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892418
2-(2-methyl-5-phenylphenyl)ethanamine
CID 115027519
2-[2-(aminomethyl)-5-phenylphenyl]acetic acid
CID 67211965
2-[4-(2,5-dimethylphenyl)phenyl]acetic acid
CID 82044426

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-5-[3-(4-methylphenyl)phenyl]phenyl]acetic acid?
The IUPAC name of 2-[2-methyl-5-[3-(4-methylphenyl)phenyl]phenyl]acetic acid (CID 68810177) is 2-[2-methyl-5-[3-(4-methylphenyl)phenyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-methyl-5-[3-(4-methylphenyl)phenyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-methyl-5-[3-(4-methylphenyl)phenyl]phenyl]acetic acid is Cc1ccc(-c2cccc(-c3ccc(C)c(CC(=O)O)c3)c2)cc1.
What is the InChIKey of 2-[2-methyl-5-[3-(4-methylphenyl)phenyl]phenyl]acetic acid?
The InChIKey is RDLHTUQEHLWXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O2/c1-15-6-9-17(10-7-15)18-4-3-5-19(12-18)20-11-8-16(2)21(13-20)14-22(23)24/h3-13H,14H2,1-2H3,(H,23,24).
What are the key properties of 2-[2-methyl-5-[3-(4-methylphenyl)phenyl]phenyl]acetic acid?
2-[2-methyl-5-[3-(4-methylphenyl)phenyl]phenyl]acetic acid has a molecular weight of 316.40 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-5-[3-(4-methylphenyl)phenyl]phenyl]acetic acid is sourced from PubChem (CID 68810177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).