4-tert-butyl-2-(2-methylphenyl)benzoic acid

C18H20O2 — CID 20627859

IUPAC4-tert-butyl-2-(2-methylphenyl)benzoic acid
SMILESCc1ccccc1-c1cc(C(C)(C)C)ccc1C(=O)O
InChIInChI=1S/C18H20O2/c1-12-7-5-6-8-14(12)16-11-13(18(2,3)4)9-10-15(16)17(19)20/h5-11H,1-4H3,(H,19,20)
InChIKeyFKJMCQUADPZWPM-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.66
Rot. Bonds2

About 4-tert-butyl-2-(2-methylphenyl)benzoic acid

4-tert-butyl-2-(2-methylphenyl)benzoic acid (PubChem CID 20627859) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-tert-butyl-2-(2-methylphenyl)benzoic acid.

Molecular Properties

Compound Name4-tert-butyl-2-(2-methylphenyl)benzoic acid
PubChem CID20627859
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name4-tert-butyl-2-(2-methylphenyl)benzoic acid
SMILESCc1ccccc1-c1cc(C(C)(C)C)ccc1C(=O)O
InChIInChI=1S/C18H20O2/c1-12-7-5-6-8-14(12)16-11-13(18(2,3)4)9-10-15(16)17(19)20/h5-11H,1-4H3,(H,19,20)
InChIKeyFKJMCQUADPZWPM-UHFFFAOYSA-N
XLogP4.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-2-naphthalen-1-ylbenzoic acid
CID 22306797
4-chloro-2-(2-methylphenyl)benzoic acid
CID 53224862
4-(hydroxymethyl)-2-(2-methylphenyl)benzoic acid
CID 10633904
3-(2-methylphenyl)naphthalene-2-carboxylic acid
CID 171127461
2-(2-methylphenyl)-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoic acid
CID 54076744
carbonic acid;1-methyl-2-(2-methylphenyl)benzene
CID 67741238
2-benzoyl-4-tert-butylbenzoic acid
CID 3106283
2-(2-fluorophenyl)-4-(trifluoromethyl)benzoic acid
CID 172648591
2-(3-tert-butylphenyl)-4,5-dimethylbenzoic acid
CID 71098671
4-[2-(4-carboxy-3-methylphenyl)propan-2-yl]-2-methylbenzoic acid
CID 67542151
2,3-dimethyl-5-(2-methylphenyl)terephthalic acid
CID 87134635
5-(5-tert-butyl-2-methylphenyl)-1,2-oxazole-4-carboxylic acid
CID 82301029

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(2-methylphenyl)benzoic acid?
The IUPAC name of 4-tert-butyl-2-(2-methylphenyl)benzoic acid (CID 20627859) is 4-tert-butyl-2-(2-methylphenyl)benzoic acid.
What is the SMILES notation for 4-tert-butyl-2-(2-methylphenyl)benzoic acid?
The canonical SMILES for 4-tert-butyl-2-(2-methylphenyl)benzoic acid is Cc1ccccc1-c1cc(C(C)(C)C)ccc1C(=O)O.
What is the InChIKey of 4-tert-butyl-2-(2-methylphenyl)benzoic acid?
The InChIKey is FKJMCQUADPZWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-12-7-5-6-8-14(12)16-11-13(18(2,3)4)9-10-15(16)17(19)20/h5-11H,1-4H3,(H,19,20).
What are the key properties of 4-tert-butyl-2-(2-methylphenyl)benzoic acid?
4-tert-butyl-2-(2-methylphenyl)benzoic acid has a molecular weight of 268.36 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(2-methylphenyl)benzoic acid is sourced from PubChem (CID 20627859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).