4-(4-butylphenyl)benzoic acid

C17H18O2 — CID 2757304

IUPAC4-(4-butylphenyl)benzoic acid
SMILESCCCCc1ccc(-c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C17H18O2/c1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(12-10-15)17(18)19/h5-12H,2-4H2,1H3,(H,18,19)
InChIKeyBVBTVBVHIQDKKW-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.39
Rot. Bonds5

About 4-(4-butylphenyl)benzoic acid

4-(4-butylphenyl)benzoic acid (PubChem CID 2757304) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-(4-butylphenyl)benzoic acid.

Molecular Properties

Compound Name4-(4-butylphenyl)benzoic acid
PubChem CID2757304
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name4-(4-butylphenyl)benzoic acid
SMILESCCCCc1ccc(-c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C17H18O2/c1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(12-10-15)17(18)19/h5-12H,2-4H2,1H3,(H,18,19)
InChIKeyBVBTVBVHIQDKKW-UHFFFAOYSA-N
XLogP4.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-butylphenyl)benzoic acid?
The IUPAC name of 4-(4-butylphenyl)benzoic acid (CID 2757304) is 4-(4-butylphenyl)benzoic acid.
What is the SMILES notation for 4-(4-butylphenyl)benzoic acid?
The canonical SMILES for 4-(4-butylphenyl)benzoic acid is CCCCc1ccc(-c2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-(4-butylphenyl)benzoic acid?
The InChIKey is BVBTVBVHIQDKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(12-10-15)17(18)19/h5-12H,2-4H2,1H3,(H,18,19).
What are the key properties of 4-(4-butylphenyl)benzoic acid?
4-(4-butylphenyl)benzoic acid has a molecular weight of 254.33 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylphenyl)benzoic acid is sourced from PubChem (CID 2757304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).