2-(3-chlorophenoxy)-2-cyclopropylpropanoic acid

C12H13ClO3 — CID 114994951

IUPAC2-(3-chlorophenoxy)-2-cyclopropylpropanoic acid
SMILESCC(Oc1cccc(Cl)c1)(C(=O)O)C1CC1
InChIInChI=1S/C12H13ClO3/c1-12(11(14)15,8-5-6-8)16-10-4-2-3-9(13)7-10/h2-4,7-8H,5-6H2,1H3,(H,14,15)
InChIKeyIFZKDUDYJWYIOJ-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.97
Rot. Bonds4

About 2-(3-chlorophenoxy)-2-cyclopropylpropanoic acid

2-(3-chlorophenoxy)-2-cyclopropylpropanoic acid (PubChem CID 114994951) has the molecular formula C12H13ClO3 and a molecular weight of 240.69 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-2-cyclopropylpropanoic acid.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-2-cyclopropylpropanoic acid
PubChem CID114994951
Molecular FormulaC12H13ClO3
Molecular Weight240.69 g/mol
Exact Mass240.06
IUPAC Name2-(3-chlorophenoxy)-2-cyclopropylpropanoic acid
SMILESCC(Oc1cccc(Cl)c1)(C(=O)O)C1CC1
InChIInChI=1S/C12H13ClO3/c1-12(11(14)15,8-5-6-8)16-10-4-2-3-9(13)7-10/h2-4,7-8H,5-6H2,1H3,(H,14,15)
InChIKeyIFZKDUDYJWYIOJ-UHFFFAOYSA-N
XLogP2.97
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-2-cyclopropylpropanoic acid?
The IUPAC name of 2-(3-chlorophenoxy)-2-cyclopropylpropanoic acid (CID 114994951) is 2-(3-chlorophenoxy)-2-cyclopropylpropanoic acid.
What is the SMILES notation for 2-(3-chlorophenoxy)-2-cyclopropylpropanoic acid?
The canonical SMILES for 2-(3-chlorophenoxy)-2-cyclopropylpropanoic acid is CC(Oc1cccc(Cl)c1)(C(=O)O)C1CC1.
What is the InChIKey of 2-(3-chlorophenoxy)-2-cyclopropylpropanoic acid?
The InChIKey is IFZKDUDYJWYIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO3/c1-12(11(14)15,8-5-6-8)16-10-4-2-3-9(13)7-10/h2-4,7-8H,5-6H2,1H3,(H,14,15).
What are the key properties of 2-(3-chlorophenoxy)-2-cyclopropylpropanoic acid?
2-(3-chlorophenoxy)-2-cyclopropylpropanoic acid has a molecular weight of 240.69 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-2-cyclopropylpropanoic acid is sourced from PubChem (CID 114994951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).