4-(4-propylphenyl)benzoic acid

C16H16O2 — CID 522891

IUPAC4-(4-propylphenyl)benzoic acid
SMILESCCCc1ccc(-c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C16H16O2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h4-11H,2-3H2,1H3,(H,17,18)
InChIKeyHCPBURTZSXRGBN-UHFFFAOYSA-N
MW240.30 g/mol
LogP4.00
Rot. Bonds4

About 4-(4-propylphenyl)benzoic acid

4-(4-propylphenyl)benzoic acid (PubChem CID 522891) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-(4-propylphenyl)benzoic acid.

Molecular Properties

Compound Name4-(4-propylphenyl)benzoic acid
PubChem CID522891
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name4-(4-propylphenyl)benzoic acid
SMILESCCCc1ccc(-c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C16H16O2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h4-11H,2-3H2,1H3,(H,17,18)
InChIKeyHCPBURTZSXRGBN-UHFFFAOYSA-N
XLogP4.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-propylphenyl)benzoic acid?
The IUPAC name of 4-(4-propylphenyl)benzoic acid (CID 522891) is 4-(4-propylphenyl)benzoic acid.
What is the SMILES notation for 4-(4-propylphenyl)benzoic acid?
The canonical SMILES for 4-(4-propylphenyl)benzoic acid is CCCc1ccc(-c2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-(4-propylphenyl)benzoic acid?
The InChIKey is HCPBURTZSXRGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h4-11H,2-3H2,1H3,(H,17,18).
What are the key properties of 4-(4-propylphenyl)benzoic acid?
4-(4-propylphenyl)benzoic acid has a molecular weight of 240.30 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propylphenyl)benzoic acid is sourced from PubChem (CID 522891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).