2-(4-chloro-2,6-diethylphenyl)acetic acid

C12H15ClO2 — CID 66707717

IUPAC2-(4-chloro-2,6-diethylphenyl)acetic acid
SMILESCCc1cc(Cl)cc(CC)c1CC(=O)O
InChIInChI=1S/C12H15ClO2/c1-3-8-5-10(13)6-9(4-2)11(8)7-12(14)15/h5-6H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyIJBQRDNKCGIFLJ-UHFFFAOYSA-N
MW226.70 g/mol
LogP3.09
Rot. Bonds4

About 2-(4-chloro-2,6-diethylphenyl)acetic acid

2-(4-chloro-2,6-diethylphenyl)acetic acid (PubChem CID 66707717) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is 2-(4-chloro-2,6-diethylphenyl)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-2,6-diethylphenyl)acetic acid
PubChem CID66707717
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name2-(4-chloro-2,6-diethylphenyl)acetic acid
SMILESCCc1cc(Cl)cc(CC)c1CC(=O)O
InChIInChI=1S/C12H15ClO2/c1-3-8-5-10(13)6-9(4-2)11(8)7-12(14)15/h5-6H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyIJBQRDNKCGIFLJ-UHFFFAOYSA-N
XLogP3.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,6-diethylphenyl)acetic acid?
The IUPAC name of 2-(4-chloro-2,6-diethylphenyl)acetic acid (CID 66707717) is 2-(4-chloro-2,6-diethylphenyl)acetic acid.
What is the SMILES notation for 2-(4-chloro-2,6-diethylphenyl)acetic acid?
The canonical SMILES for 2-(4-chloro-2,6-diethylphenyl)acetic acid is CCc1cc(Cl)cc(CC)c1CC(=O)O.
What is the InChIKey of 2-(4-chloro-2,6-diethylphenyl)acetic acid?
The InChIKey is IJBQRDNKCGIFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2/c1-3-8-5-10(13)6-9(4-2)11(8)7-12(14)15/h5-6H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-chloro-2,6-diethylphenyl)acetic acid?
2-(4-chloro-2,6-diethylphenyl)acetic acid has a molecular weight of 226.70 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,6-diethylphenyl)acetic acid is sourced from PubChem (CID 66707717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).