[(1R)-1-(4-chlorophenyl)propyl] acetate

C11H13ClO2 — CID 11206641

IUPAC[(1R)-1-(4-chlorophenyl)propyl] acetate
SMILESCC[C@@H](OC(C)=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClO2/c1-3-11(14-8(2)13)9-4-6-10(12)7-5-9/h4-7,11H,3H2,1-2H3/t11-/m1/s1
InChIKeyXDWKHOYVNAYRQX-LLVKDONJSA-N
MW212.68 g/mol
LogP3.35
Rot. Bonds3

About [(1R)-1-(4-chlorophenyl)propyl] acetate

[(1R)-1-(4-chlorophenyl)propyl] acetate (PubChem CID 11206641) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is [(1R)-1-(4-chlorophenyl)propyl] acetate.

Molecular Properties

Compound Name[(1R)-1-(4-chlorophenyl)propyl] acetate
PubChem CID11206641
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name[(1R)-1-(4-chlorophenyl)propyl] acetate
SMILESCC[C@@H](OC(C)=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClO2/c1-3-11(14-8(2)13)9-4-6-10(12)7-5-9/h4-7,11H,3H2,1-2H3/t11-/m1/s1
InChIKeyXDWKHOYVNAYRQX-LLVKDONJSA-N
XLogP3.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-chlorophenyl)propyl] acetate?
The IUPAC name of [(1R)-1-(4-chlorophenyl)propyl] acetate (CID 11206641) is [(1R)-1-(4-chlorophenyl)propyl] acetate.
What is the SMILES notation for [(1R)-1-(4-chlorophenyl)propyl] acetate?
The canonical SMILES for [(1R)-1-(4-chlorophenyl)propyl] acetate is CC[C@@H](OC(C)=O)c1ccc(Cl)cc1.
What is the InChIKey of [(1R)-1-(4-chlorophenyl)propyl] acetate?
The InChIKey is XDWKHOYVNAYRQX-LLVKDONJSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-3-11(14-8(2)13)9-4-6-10(12)7-5-9/h4-7,11H,3H2,1-2H3/t11-/m1/s1.
What are the key properties of [(1R)-1-(4-chlorophenyl)propyl] acetate?
[(1R)-1-(4-chlorophenyl)propyl] acetate has a molecular weight of 212.68 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-chlorophenyl)propyl] acetate is sourced from PubChem (CID 11206641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).