1-phenoxy-2-propylcyclopropane-1-carboxylic acid

C13H16O3 — CID 121269494

IUPAC1-phenoxy-2-propylcyclopropane-1-carboxylic acid
SMILESCCCC1CC1(Oc1ccccc1)C(=O)O
InChIInChI=1S/C13H16O3/c1-2-6-10-9-13(10,12(14)15)16-11-7-4-3-5-8-11/h3-5,7-8,10H,2,6,9H2,1H3,(H,14,15)
InChIKeyJPUZXTWRBAOSII-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.71
Rot. Bonds5

About 1-phenoxy-2-propylcyclopropane-1-carboxylic acid

1-phenoxy-2-propylcyclopropane-1-carboxylic acid (PubChem CID 121269494) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-phenoxy-2-propylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-phenoxy-2-propylcyclopropane-1-carboxylic acid
PubChem CID121269494
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name1-phenoxy-2-propylcyclopropane-1-carboxylic acid
SMILESCCCC1CC1(Oc1ccccc1)C(=O)O
InChIInChI=1S/C13H16O3/c1-2-6-10-9-13(10,12(14)15)16-11-7-4-3-5-8-11/h3-5,7-8,10H,2,6,9H2,1H3,(H,14,15)
InChIKeyJPUZXTWRBAOSII-UHFFFAOYSA-N
XLogP2.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-2-propylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-phenoxy-2-propylcyclopropane-1-carboxylic acid (CID 121269494) is 1-phenoxy-2-propylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-phenoxy-2-propylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-phenoxy-2-propylcyclopropane-1-carboxylic acid is CCCC1CC1(Oc1ccccc1)C(=O)O.
What is the InChIKey of 1-phenoxy-2-propylcyclopropane-1-carboxylic acid?
The InChIKey is JPUZXTWRBAOSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-2-6-10-9-13(10,12(14)15)16-11-7-4-3-5-8-11/h3-5,7-8,10H,2,6,9H2,1H3,(H,14,15).
What are the key properties of 1-phenoxy-2-propylcyclopropane-1-carboxylic acid?
1-phenoxy-2-propylcyclopropane-1-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-2-propylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 121269494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).