2-(2,5-dichloro-4-cyclohexylphenyl)acetic acid

C14H16Cl2O2 — CID 25932

IUPAC2-(2,5-dichloro-4-cyclohexylphenyl)acetic acid
SMILESO=C(O)Cc1cc(Cl)c(C2CCCCC2)cc1Cl
InChIInChI=1S/C14H16Cl2O2/c15-12-8-11(9-4-2-1-3-5-9)13(16)6-10(12)7-14(17)18/h6,8-9H,1-5,7H2,(H,17,18)
InChIKeyNTYFWSQPZNEZFR-UHFFFAOYSA-N
MW287.19 g/mol
LogP4.67
Rot. Bonds3

About 2-(2,5-dichloro-4-cyclohexylphenyl)acetic acid

2-(2,5-dichloro-4-cyclohexylphenyl)acetic acid (PubChem CID 25932) has the molecular formula C14H16Cl2O2 and a molecular weight of 287.19 g/mol. Its IUPAC name is 2-(2,5-dichloro-4-cyclohexylphenyl)acetic acid.

Molecular Properties

Compound Name2-(2,5-dichloro-4-cyclohexylphenyl)acetic acid
PubChem CID25932
Molecular FormulaC14H16Cl2O2
Molecular Weight287.19 g/mol
Exact Mass286.05
IUPAC Name2-(2,5-dichloro-4-cyclohexylphenyl)acetic acid
SMILESO=C(O)Cc1cc(Cl)c(C2CCCCC2)cc1Cl
InChIInChI=1S/C14H16Cl2O2/c15-12-8-11(9-4-2-1-3-5-9)13(16)6-10(12)7-14(17)18/h6,8-9H,1-5,7H2,(H,17,18)
InChIKeyNTYFWSQPZNEZFR-UHFFFAOYSA-N
XLogP4.67
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 ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloro-4-cyclohexylphenyl)acetic acid?
The IUPAC name of 2-(2,5-dichloro-4-cyclohexylphenyl)acetic acid (CID 25932) is 2-(2,5-dichloro-4-cyclohexylphenyl)acetic acid.
What is the SMILES notation for 2-(2,5-dichloro-4-cyclohexylphenyl)acetic acid?
The canonical SMILES for 2-(2,5-dichloro-4-cyclohexylphenyl)acetic acid is O=C(O)Cc1cc(Cl)c(C2CCCCC2)cc1Cl.
What is the InChIKey of 2-(2,5-dichloro-4-cyclohexylphenyl)acetic acid?
The InChIKey is NTYFWSQPZNEZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2O2/c15-12-8-11(9-4-2-1-3-5-9)13(16)6-10(12)7-14(17)18/h6,8-9H,1-5,7H2,(H,17,18).
What are the key properties of 2-(2,5-dichloro-4-cyclohexylphenyl)acetic acid?
2-(2,5-dichloro-4-cyclohexylphenyl)acetic acid has a molecular weight of 287.19 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloro-4-cyclohexylphenyl)acetic acid is sourced from PubChem (CID 25932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).