2-(4-chloro-2-cycloheptylphenoxy)acetic acid

C15H19ClO3 — CID 11514705

IUPAC2-(4-chloro-2-cycloheptylphenoxy)acetic acid
SMILESO=C(O)COc1ccc(Cl)cc1C1CCCCCC1
InChIInChI=1S/C15H19ClO3/c16-12-7-8-14(19-10-15(17)18)13(9-12)11-5-3-1-2-4-6-11/h7-9,11H,1-6,10H2,(H,17,18)
InChIKeyJEPDINCGXLHLDF-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.24
Rot. Bonds4

About 2-(4-chloro-2-cycloheptylphenoxy)acetic acid

2-(4-chloro-2-cycloheptylphenoxy)acetic acid (PubChem CID 11514705) has the molecular formula C15H19ClO3 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-(4-chloro-2-cycloheptylphenoxy)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-2-cycloheptylphenoxy)acetic acid
PubChem CID11514705
Molecular FormulaC15H19ClO3
Molecular Weight282.77 g/mol
Exact Mass282.10
IUPAC Name2-(4-chloro-2-cycloheptylphenoxy)acetic acid
SMILESO=C(O)COc1ccc(Cl)cc1C1CCCCCC1
InChIInChI=1S/C15H19ClO3/c16-12-7-8-14(19-10-15(17)18)13(9-12)11-5-3-1-2-4-6-11/h7-9,11H,1-6,10H2,(H,17,18)
InChIKeyJEPDINCGXLHLDF-UHFFFAOYSA-N
XLogP4.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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 2-(4-chloro-2-cycloheptylphenoxy)acetic acid?
The IUPAC name of 2-(4-chloro-2-cycloheptylphenoxy)acetic acid (CID 11514705) is 2-(4-chloro-2-cycloheptylphenoxy)acetic acid.
What is the SMILES notation for 2-(4-chloro-2-cycloheptylphenoxy)acetic acid?
The canonical SMILES for 2-(4-chloro-2-cycloheptylphenoxy)acetic acid is O=C(O)COc1ccc(Cl)cc1C1CCCCCC1.
What is the InChIKey of 2-(4-chloro-2-cycloheptylphenoxy)acetic acid?
The InChIKey is JEPDINCGXLHLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO3/c16-12-7-8-14(19-10-15(17)18)13(9-12)11-5-3-1-2-4-6-11/h7-9,11H,1-6,10H2,(H,17,18).
What are the key properties of 2-(4-chloro-2-cycloheptylphenoxy)acetic acid?
2-(4-chloro-2-cycloheptylphenoxy)acetic acid has a molecular weight of 282.77 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-cycloheptylphenoxy)acetic acid is sourced from PubChem (CID 11514705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).