4-(4-tert-butylphenyl)benzoic acid

C17H18O2 — CID 541479

IUPAC4-(4-tert-butylphenyl)benzoic acid
SMILESCC(C)(C)c1ccc(-c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C17H18O2/c1-17(2,3)15-10-8-13(9-11-15)12-4-6-14(7-5-12)16(18)19/h4-11H,1-3H3,(H,18,19)
InChIKeyHZIOPONJCVOCFE-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.35
Rot. Bonds2

About 4-(4-tert-butylphenyl)benzoic acid

4-(4-tert-butylphenyl)benzoic acid (PubChem CID 541479) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)benzoic acid.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)benzoic acid
PubChem CID541479
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name4-(4-tert-butylphenyl)benzoic acid
SMILESCC(C)(C)c1ccc(-c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C17H18O2/c1-17(2,3)15-10-8-13(9-11-15)12-4-6-14(7-5-12)16(18)19/h4-11H,1-3H3,(H,18,19)
InChIKeyHZIOPONJCVOCFE-UHFFFAOYSA-N
XLogP4.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)benzoic acid?
The IUPAC name of 4-(4-tert-butylphenyl)benzoic acid (CID 541479) is 4-(4-tert-butylphenyl)benzoic acid.
What is the SMILES notation for 4-(4-tert-butylphenyl)benzoic acid?
The canonical SMILES for 4-(4-tert-butylphenyl)benzoic acid is CC(C)(C)c1ccc(-c2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)benzoic acid?
The InChIKey is HZIOPONJCVOCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-17(2,3)15-10-8-13(9-11-15)12-4-6-14(7-5-12)16(18)19/h4-11H,1-3H3,(H,18,19).
What are the key properties of 4-(4-tert-butylphenyl)benzoic acid?
4-(4-tert-butylphenyl)benzoic acid has a molecular weight of 254.33 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)benzoic acid is sourced from PubChem (CID 541479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).