propan-2-yl 2,6-dichlorobenzoate

C10H10Cl2O2 — CID 22149751

IUPACpropan-2-yl 2,6-dichlorobenzoate
SMILESCC(C)OC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C10H10Cl2O2/c1-6(2)14-10(13)9-7(11)4-3-5-8(9)12/h3-6H,1-2H3
InChIKeyWIFQIJVHNCJHKA-UHFFFAOYSA-N
MW233.09 g/mol
LogP3.56
Rot. Bonds2

About propan-2-yl 2,6-dichlorobenzoate

propan-2-yl 2,6-dichlorobenzoate (PubChem CID 22149751) has the molecular formula C10H10Cl2O2 and a molecular weight of 233.09 g/mol. Its IUPAC name is propan-2-yl 2,6-dichlorobenzoate.

Molecular Properties

Compound Namepropan-2-yl 2,6-dichlorobenzoate
PubChem CID22149751
Molecular FormulaC10H10Cl2O2
Molecular Weight233.09 g/mol
Exact Mass232.01
IUPAC Namepropan-2-yl 2,6-dichlorobenzoate
SMILESCC(C)OC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C10H10Cl2O2/c1-6(2)14-10(13)9-7(11)4-3-5-8(9)12/h3-6H,1-2H3
InChIKeyWIFQIJVHNCJHKA-UHFFFAOYSA-N
XLogP3.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.09
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

dipropan-2-yl 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate
CID 87817981
[(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 2,6-dichlorobenzoate
CID 7723640
(2-oxo-2-propan-2-yloxyethyl) 2-amino-6-chlorobenzoate
CID 63661316
propan-2-yl 4-chloro-1-benzofuran-2-carboxylate
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propan-2-yl 7-chloro-1-benzofuran-2-carboxylate
CID 135394390
2-chloro-6-propan-2-yloxybenzoic acid
CID 28604889
(2-hydroxy-3-methylpentyl) 2,6-dichlorobenzoate
CID 23597193
[(3S)-2-hydroxy-3-methylpentyl] 2,6-dichlorobenzoate
CID 58594548
propan-2-yl 2-(2,6-dichlorophenoxy)acetate
CID 60643376
propan-2-yl 5-[(3-chloro-2-methylphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 26720466
[(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 2,6-dichlorobenzoate
CID 8649636
[(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2,6-dichlorobenzoate
CID 2488890

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2,6-dichlorobenzoate?
The IUPAC name of propan-2-yl 2,6-dichlorobenzoate (CID 22149751) is propan-2-yl 2,6-dichlorobenzoate.
What is the SMILES notation for propan-2-yl 2,6-dichlorobenzoate?
The canonical SMILES for propan-2-yl 2,6-dichlorobenzoate is CC(C)OC(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of propan-2-yl 2,6-dichlorobenzoate?
The InChIKey is WIFQIJVHNCJHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O2/c1-6(2)14-10(13)9-7(11)4-3-5-8(9)12/h3-6H,1-2H3.
What are the key properties of propan-2-yl 2,6-dichlorobenzoate?
propan-2-yl 2,6-dichlorobenzoate has a molecular weight of 233.09 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2,6-dichlorobenzoate is sourced from PubChem (CID 22149751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).