3-(4-chloro-2-cyclohexylphenoxy)propanoic acid

C15H19ClO3 — CID 16775011

IUPAC3-(4-chloro-2-cyclohexylphenoxy)propanoic acid
SMILESO=C(O)CCOc1ccc(Cl)cc1C1CCCCC1
InChIInChI=1S/C15H19ClO3/c16-12-6-7-14(19-9-8-15(17)18)13(10-12)11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H,17,18)
InChIKeyZHWIAECJQUFYPY-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.24
Rot. Bonds5

About 3-(4-chloro-2-cyclohexylphenoxy)propanoic acid

3-(4-chloro-2-cyclohexylphenoxy)propanoic acid (PubChem CID 16775011) has the molecular formula C15H19ClO3 and a molecular weight of 282.77 g/mol. Its IUPAC name is 3-(4-chloro-2-cyclohexylphenoxy)propanoic acid.

Molecular Properties

Compound Name3-(4-chloro-2-cyclohexylphenoxy)propanoic acid
PubChem CID16775011
Molecular FormulaC15H19ClO3
Molecular Weight282.77 g/mol
Exact Mass282.10
IUPAC Name3-(4-chloro-2-cyclohexylphenoxy)propanoic acid
SMILESO=C(O)CCOc1ccc(Cl)cc1C1CCCCC1
InChIInChI=1S/C15H19ClO3/c16-12-6-7-14(19-9-8-15(17)18)13(10-12)11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H,17,18)
InChIKeyZHWIAECJQUFYPY-UHFFFAOYSA-N
XLogP4.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-cyclohexylphenoxy)propanoic acid?
The IUPAC name of 3-(4-chloro-2-cyclohexylphenoxy)propanoic acid (CID 16775011) is 3-(4-chloro-2-cyclohexylphenoxy)propanoic acid.
What is the SMILES notation for 3-(4-chloro-2-cyclohexylphenoxy)propanoic acid?
The canonical SMILES for 3-(4-chloro-2-cyclohexylphenoxy)propanoic acid is O=C(O)CCOc1ccc(Cl)cc1C1CCCCC1.
What is the InChIKey of 3-(4-chloro-2-cyclohexylphenoxy)propanoic acid?
The InChIKey is ZHWIAECJQUFYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO3/c16-12-6-7-14(19-9-8-15(17)18)13(10-12)11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H,17,18).
What are the key properties of 3-(4-chloro-2-cyclohexylphenoxy)propanoic acid?
3-(4-chloro-2-cyclohexylphenoxy)propanoic acid has a molecular weight of 282.77 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-cyclohexylphenoxy)propanoic acid is sourced from PubChem (CID 16775011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).