propan-2-yl 3,5-dichlorobenzoate

C10H10Cl2O2 — CID 60642653

IUPACpropan-2-yl 3,5-dichlorobenzoate
SMILESCC(C)OC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H10Cl2O2/c1-6(2)14-10(13)7-3-8(11)5-9(12)4-7/h3-6H,1-2H3
InChIKeyRBQXXYQUBFQNPO-UHFFFAOYSA-N
MW233.09 g/mol
LogP3.56
Rot. Bonds2

About propan-2-yl 3,5-dichlorobenzoate

propan-2-yl 3,5-dichlorobenzoate (PubChem CID 60642653) has the molecular formula C10H10Cl2O2 and a molecular weight of 233.09 g/mol. Its IUPAC name is propan-2-yl 3,5-dichlorobenzoate.

Molecular Properties

Compound Namepropan-2-yl 3,5-dichlorobenzoate
PubChem CID60642653
Molecular FormulaC10H10Cl2O2
Molecular Weight233.09 g/mol
Exact Mass232.01
IUPAC Namepropan-2-yl 3,5-dichlorobenzoate
SMILESCC(C)OC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H10Cl2O2/c1-6(2)14-10(13)7-3-8(11)5-9(12)4-7/h3-6H,1-2H3
InChIKeyRBQXXYQUBFQNPO-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

(4-propan-2-yloxycarbonylphenyl) 3,5-dichlorobenzoate
CID 17160934
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dichlorobenzoate
CID 16523243
propan-2-yl 3,5-dichloro-4-ethoxybenzoate
CID 82550869
propan-2-yl 5-chlorofuran-3-carboxylate
CID 133063422
propan-2-yl 3-(3-chlorobenzoyl)oxybenzoate
CID 17162400
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3,5-dichlorobenzoate
CID 7724269
propan-2-yl 3-chloro-4-hydroxybenzoate
CID 60643108
magnesium;dipropan-2-yl benzene-1,4-dicarboxylate;hydride
CID 174514429
propan-2-yl 4-carbonochloridoylbenzoate
CID 91331513
propan-2-yl 3,5-dichloro-2-propan-2-yloxybenzoate
CID 82552200
propan-2-yl 3-amino-4-chlorobenzoate;hydrochloride
CID 132648281
[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl] 3,5-dichlorobenzoate
CID 14895430

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3,5-dichlorobenzoate?
The IUPAC name of propan-2-yl 3,5-dichlorobenzoate (CID 60642653) is propan-2-yl 3,5-dichlorobenzoate.
What is the SMILES notation for propan-2-yl 3,5-dichlorobenzoate?
The canonical SMILES for propan-2-yl 3,5-dichlorobenzoate is CC(C)OC(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of propan-2-yl 3,5-dichlorobenzoate?
The InChIKey is RBQXXYQUBFQNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O2/c1-6(2)14-10(13)7-3-8(11)5-9(12)4-7/h3-6H,1-2H3.
What are the key properties of propan-2-yl 3,5-dichlorobenzoate?
propan-2-yl 3,5-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 3,5-dichlorobenzoate is sourced from PubChem (CID 60642653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).