2-[2-(2,5-dichlorophenyl)cyclohexyl]acetic acid

C14H16Cl2O2 — CID 82250027

IUPAC2-[2-(2,5-dichlorophenyl)cyclohexyl]acetic acid
SMILESO=C(O)CC1CCCCC1c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H16Cl2O2/c15-10-5-6-13(16)12(8-10)11-4-2-1-3-9(11)7-14(17)18/h5-6,8-9,11H,1-4,7H2,(H,17,18)
InChIKeyGTBOOONJUVSEKD-UHFFFAOYSA-N
MW287.19 g/mol
LogP4.74
Rot. Bonds3

About 2-[2-(2,5-dichlorophenyl)cyclohexyl]acetic acid

2-[2-(2,5-dichlorophenyl)cyclohexyl]acetic acid (PubChem CID 82250027) has the molecular formula C14H16Cl2O2 and a molecular weight of 287.19 g/mol. Its IUPAC name is 2-[2-(2,5-dichlorophenyl)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,5-dichlorophenyl)cyclohexyl]acetic acid
PubChem CID82250027
Molecular FormulaC14H16Cl2O2
Molecular Weight287.19 g/mol
Exact Mass286.05
IUPAC Name2-[2-(2,5-dichlorophenyl)cyclohexyl]acetic acid
SMILESO=C(O)CC1CCCCC1c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H16Cl2O2/c15-10-5-6-13(16)12(8-10)11-4-2-1-3-9(11)7-14(17)18/h5-6,8-9,11H,1-4,7H2,(H,17,18)
InChIKeyGTBOOONJUVSEKD-UHFFFAOYSA-N
XLogP4.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dichlorophenyl)cyclohexyl]acetic acid?
The IUPAC name of 2-[2-(2,5-dichlorophenyl)cyclohexyl]acetic acid (CID 82250027) is 2-[2-(2,5-dichlorophenyl)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[2-(2,5-dichlorophenyl)cyclohexyl]acetic acid?
The canonical SMILES for 2-[2-(2,5-dichlorophenyl)cyclohexyl]acetic acid is O=C(O)CC1CCCCC1c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[2-(2,5-dichlorophenyl)cyclohexyl]acetic acid?
The InChIKey is GTBOOONJUVSEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2O2/c15-10-5-6-13(16)12(8-10)11-4-2-1-3-9(11)7-14(17)18/h5-6,8-9,11H,1-4,7H2,(H,17,18).
What are the key properties of 2-[2-(2,5-dichlorophenyl)cyclohexyl]acetic acid?
2-[2-(2,5-dichlorophenyl)cyclohexyl]acetic acid has a molecular weight of 287.19 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dichlorophenyl)cyclohexyl]acetic acid is sourced from PubChem (CID 82250027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).