4-[2,5-dimethyl-4-(4-methylphenyl)phenyl]benzoic acid

C22H20O2 — CID 154692263

IUPAC4-[2,5-dimethyl-4-(4-methylphenyl)phenyl]benzoic acid
SMILESCc1ccc(-c2cc(C)c(-c3ccc(C(=O)O)cc3)cc2C)cc1
InChIInChI=1S/C22H20O2/c1-14-4-6-17(7-5-14)20-12-16(3)21(13-15(20)2)18-8-10-19(11-9-18)22(23)24/h4-13H,1-3H3,(H,23,24)
InChIKeyUAHVLRJGPOOCDE-UHFFFAOYSA-N
MW316.40 g/mol
LogP5.64
Rot. Bonds3

About 4-[2,5-dimethyl-4-(4-methylphenyl)phenyl]benzoic acid

4-[2,5-dimethyl-4-(4-methylphenyl)phenyl]benzoic acid (PubChem CID 154692263) has the molecular formula C22H20O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 4-[2,5-dimethyl-4-(4-methylphenyl)phenyl]benzoic acid.

Molecular Properties

Compound Name4-[2,5-dimethyl-4-(4-methylphenyl)phenyl]benzoic acid
PubChem CID154692263
Molecular FormulaC22H20O2
Molecular Weight316.40 g/mol
Exact Mass316.15
IUPAC Name4-[2,5-dimethyl-4-(4-methylphenyl)phenyl]benzoic acid
SMILESCc1ccc(-c2cc(C)c(-c3ccc(C(=O)O)cc3)cc2C)cc1
InChIInChI=1S/C22H20O2/c1-14-4-6-17(7-5-14)20-12-16(3)21(13-15(20)2)18-8-10-19(11-9-18)22(23)24/h4-13H,1-3H3,(H,23,24)
InChIKeyUAHVLRJGPOOCDE-UHFFFAOYSA-N
XLogP5.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.40
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-[2,5-dimethyl-4-[3,6,8-tris[4-[4-(4-carboxyphenyl)-2,5-dimethylphenyl]-2,5-dimethylphenyl]pyren-1-yl]phenyl]-2,5-dimethylphenyl]benzoic acid
CID 155457779
indigane;4-methylbenzoic acid
CID 173230327
alumane;4-methylbenzoic acid
CID 173230362
CID 158355468
CID 158355468
sodium 4-methylbenzoic acid
CID 164511663
4-(2-chloro-4,5-dimethylphenyl)benzoic acid
CID 115484293
cobalt;methane;4-methylbenzoic acid;terephthalic acid;1,4-xylene
CID 158793119
acetic acid;4-methylbenzoic acid
CID 68925030
4-[2-amino-3,5-bis(4-methylphenyl)phenyl]benzoic acid
CID 144851372
6-methylazulene-2-carboxylic acid
CID 57055895
4-methylbenzoic acid;molecular nitrogen;hydrochloride
CID 174650579
benzoic acid;4-methylbenzoic acid
CID 71272637

Frequently Asked Questions

What is the IUPAC name of 4-[2,5-dimethyl-4-(4-methylphenyl)phenyl]benzoic acid?
The IUPAC name of 4-[2,5-dimethyl-4-(4-methylphenyl)phenyl]benzoic acid (CID 154692263) is 4-[2,5-dimethyl-4-(4-methylphenyl)phenyl]benzoic acid.
What is the SMILES notation for 4-[2,5-dimethyl-4-(4-methylphenyl)phenyl]benzoic acid?
The canonical SMILES for 4-[2,5-dimethyl-4-(4-methylphenyl)phenyl]benzoic acid is Cc1ccc(-c2cc(C)c(-c3ccc(C(=O)O)cc3)cc2C)cc1.
What is the InChIKey of 4-[2,5-dimethyl-4-(4-methylphenyl)phenyl]benzoic acid?
The InChIKey is UAHVLRJGPOOCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O2/c1-14-4-6-17(7-5-14)20-12-16(3)21(13-15(20)2)18-8-10-19(11-9-18)22(23)24/h4-13H,1-3H3,(H,23,24).
What are the key properties of 4-[2,5-dimethyl-4-(4-methylphenyl)phenyl]benzoic acid?
4-[2,5-dimethyl-4-(4-methylphenyl)phenyl]benzoic acid has a molecular weight of 316.40 g/mol, XLogP of 5.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,5-dimethyl-4-(4-methylphenyl)phenyl]benzoic acid is sourced from PubChem (CID 154692263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).