4-ethyl-2-(4-propylbenzoyl)cyclopentane-1-carboxylic acid

C18H24O3 — CID 114512492

IUPAC4-ethyl-2-(4-propylbenzoyl)cyclopentane-1-carboxylic acid
SMILESCCCc1ccc(C(=O)C2CC(CC)CC2C(=O)O)cc1
InChIInChI=1S/C18H24O3/c1-3-5-13-6-8-14(9-7-13)17(19)15-10-12(4-2)11-16(15)18(20)21/h6-9,12,15-16H,3-5,10-11H2,1-2H3,(H,20,21)
InChIKeyIQFZQGAFQDYTOD-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.96
Rot. Bonds6

About 4-ethyl-2-(4-propylbenzoyl)cyclopentane-1-carboxylic acid

4-ethyl-2-(4-propylbenzoyl)cyclopentane-1-carboxylic acid (PubChem CID 114512492) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-ethyl-2-(4-propylbenzoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-(4-propylbenzoyl)cyclopentane-1-carboxylic acid
PubChem CID114512492
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name4-ethyl-2-(4-propylbenzoyl)cyclopentane-1-carboxylic acid
SMILESCCCc1ccc(C(=O)C2CC(CC)CC2C(=O)O)cc1
InChIInChI=1S/C18H24O3/c1-3-5-13-6-8-14(9-7-13)17(19)15-10-12(4-2)11-16(15)18(20)21/h6-9,12,15-16H,3-5,10-11H2,1-2H3,(H,20,21)
InChIKeyIQFZQGAFQDYTOD-UHFFFAOYSA-N
XLogP3.96
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(4-propylbenzoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 4-ethyl-2-(4-propylbenzoyl)cyclopentane-1-carboxylic acid (CID 114512492) is 4-ethyl-2-(4-propylbenzoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-(4-propylbenzoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-2-(4-propylbenzoyl)cyclopentane-1-carboxylic acid is CCCc1ccc(C(=O)C2CC(CC)CC2C(=O)O)cc1.
What is the InChIKey of 4-ethyl-2-(4-propylbenzoyl)cyclopentane-1-carboxylic acid?
The InChIKey is IQFZQGAFQDYTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O3/c1-3-5-13-6-8-14(9-7-13)17(19)15-10-12(4-2)11-16(15)18(20)21/h6-9,12,15-16H,3-5,10-11H2,1-2H3,(H,20,21).
What are the key properties of 4-ethyl-2-(4-propylbenzoyl)cyclopentane-1-carboxylic acid?
4-ethyl-2-(4-propylbenzoyl)cyclopentane-1-carboxylic acid has a molecular weight of 288.39 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(4-propylbenzoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114512492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).