2,5-dipropylbenzoic acid

C13H18O2 — CID 139904729

IUPAC2,5-dipropylbenzoic acid
SMILESCCCc1ccc(CCC)c(C(=O)O)c1
InChIInChI=1S/C13H18O2/c1-3-5-10-7-8-11(6-4-2)12(9-10)13(14)15/h7-9H,3-6H2,1-2H3,(H,14,15)
InChIKeyKBRNUYKLKCBBDB-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.29
Rot. Bonds5

About 2,5-dipropylbenzoic acid

2,5-dipropylbenzoic acid (PubChem CID 139904729) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2,5-dipropylbenzoic acid.

Molecular Properties

Compound Name2,5-dipropylbenzoic acid
PubChem CID139904729
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2,5-dipropylbenzoic acid
SMILESCCCc1ccc(CCC)c(C(=O)O)c1
InChIInChI=1S/C13H18O2/c1-3-5-10-7-8-11(6-4-2)12(9-10)13(14)15/h7-9H,3-6H2,1-2H3,(H,14,15)
InChIKeyKBRNUYKLKCBBDB-UHFFFAOYSA-N
XLogP3.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-propylphthalic acid;4-propylphthalic acid
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CID 54363919
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CID 139637590
2-ethyl-5-propylphenol
CID 522454
2-[2-(3-methylphenyl)ethyl]-4-propylbenzoic acid
CID 70281448
5-(2,4-difluorophenyl)-2-propylbenzoic acid
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Frequently Asked Questions

What is the IUPAC name of 2,5-dipropylbenzoic acid?
The IUPAC name of 2,5-dipropylbenzoic acid (CID 139904729) is 2,5-dipropylbenzoic acid.
What is the SMILES notation for 2,5-dipropylbenzoic acid?
The canonical SMILES for 2,5-dipropylbenzoic acid is CCCc1ccc(CCC)c(C(=O)O)c1.
What is the InChIKey of 2,5-dipropylbenzoic acid?
The InChIKey is KBRNUYKLKCBBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-3-5-10-7-8-11(6-4-2)12(9-10)13(14)15/h7-9H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 2,5-dipropylbenzoic acid?
2,5-dipropylbenzoic acid has a molecular weight of 206.28 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dipropylbenzoic acid is sourced from PubChem (CID 139904729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).