propan-2-yl 2-(3-chlorophenyl)acetate

C11H13ClO2 — CID 11458530

IUPACpropan-2-yl 2-(3-chlorophenyl)acetate
SMILESCC(C)OC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C11H13ClO2/c1-8(2)14-11(13)7-9-4-3-5-10(12)6-9/h3-6,8H,7H2,1-2H3
InChIKeyZFWAMFJCSBHEGY-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.83
Rot. Bonds3

About propan-2-yl 2-(3-chlorophenyl)acetate

propan-2-yl 2-(3-chlorophenyl)acetate (PubChem CID 11458530) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is propan-2-yl 2-(3-chlorophenyl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(3-chlorophenyl)acetate
PubChem CID11458530
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Namepropan-2-yl 2-(3-chlorophenyl)acetate
SMILESCC(C)OC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C11H13ClO2/c1-8(2)14-11(13)7-9-4-3-5-10(12)6-9/h3-6,8H,7H2,1-2H3
InChIKeyZFWAMFJCSBHEGY-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl phenylacetate
CID 7590
Isopropyl Phenylacetate
CID 62553
Propyl phenylacetate
CID 221641
3-Chlorophenylacetic acid
CID 15879
3-(3-Chlorophenyl)propanoic acid
CID 177164
Ethyl 3-chlorobenzoate
CID 70785
3-(3-Chlorophenyl)-5-pivaloyloxymethyl-2H,5H-furan-2-one
CID 487996
Acetic acid, phenyl-, 2-chloroethyl ester
CID 13672
Ethyl chlorophenylacetate
CID 97752
(+-)-Methyl alpha-chlorophenylacetate
CID 139032
Methyl (2-chlorophenyl)acetate
CID 93683
Methyl 4-chlorophenylacetate
CID 104196

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(3-chlorophenyl)acetate?
The IUPAC name of propan-2-yl 2-(3-chlorophenyl)acetate (CID 11458530) is propan-2-yl 2-(3-chlorophenyl)acetate.
What is the SMILES notation for propan-2-yl 2-(3-chlorophenyl)acetate?
The canonical SMILES for propan-2-yl 2-(3-chlorophenyl)acetate is CC(C)OC(=O)Cc1cccc(Cl)c1.
What is the InChIKey of propan-2-yl 2-(3-chlorophenyl)acetate?
The InChIKey is ZFWAMFJCSBHEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-8(2)14-11(13)7-9-4-3-5-10(12)6-9/h3-6,8H,7H2,1-2H3.
What are the key properties of propan-2-yl 2-(3-chlorophenyl)acetate?
propan-2-yl 2-(3-chlorophenyl)acetate has a molecular weight of 212.68 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(3-chlorophenyl)acetate is sourced from PubChem (CID 11458530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).