2-(4-chlorophenyl)propan-2-yl acetate

C11H13ClO2 — CID 23447101

IUPAC2-(4-chlorophenyl)propan-2-yl acetate
SMILESCC(=O)OC(C)(C)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClO2/c1-8(13)14-11(2,3)9-4-6-10(12)7-5-9/h4-7H,1-3H3
InChIKeyPLMYFGFZQRZAQM-UHFFFAOYSA-N
MW212.68 g/mol
LogP3.14
Rot. Bonds2

About 2-(4-chlorophenyl)propan-2-yl acetate

2-(4-chlorophenyl)propan-2-yl acetate (PubChem CID 23447101) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-(4-chlorophenyl)propan-2-yl acetate.

Molecular Properties

Compound Name2-(4-chlorophenyl)propan-2-yl acetate
PubChem CID23447101
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name2-(4-chlorophenyl)propan-2-yl acetate
SMILESCC(=O)OC(C)(C)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClO2/c1-8(13)14-11(2,3)9-4-6-10(12)7-5-9/h4-7H,1-3H3
InChIKeyPLMYFGFZQRZAQM-UHFFFAOYSA-N
XLogP3.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)propan-2-yl 2-aminoacetate
CID 175017464
2-(4-chlorophenyl)butan-2-yl acetate
CID 177419168
2-(4-ethoxyphenyl)propan-2-yl acetate
CID 129179659
bis[2-(4-chlorophenyl)propan-2-yl] propanedioate;2-(4-chlorophenyl)propan-2-ol;propanedioic acid
CID 157385921
methyl (2S)-2-bromo-2-(4-chlorophenyl)propanoate
CID 97034672
methyl 2-chloro-2-(4-chlorophenyl)propanoate
CID 19781425
(3R)-3-(4-chlorophenyl)-3-fluorobutan-2-one
CID 125488677
2-(4-chlorophenyl)propan-2-yl 2,2,2-trichloroethanimidate
CID 66918649
1,1-bis(4-chlorophenyl)ethyl 2,2,2-trifluoroacetate
CID 91751426
2-(4-chlorophenyl)propan-2-yl 3-methyl-4-propan-2-ylbenzoate
CID 130400032
2-(4-chlorophenyl)-2-hydroxypropanoic acid
CID 10013044
2-(4-tert-butylphenyl)propan-2-yl 2-methylprop-2-enoate
CID 118193786

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)propan-2-yl acetate?
The IUPAC name of 2-(4-chlorophenyl)propan-2-yl acetate (CID 23447101) is 2-(4-chlorophenyl)propan-2-yl acetate.
What is the SMILES notation for 2-(4-chlorophenyl)propan-2-yl acetate?
The canonical SMILES for 2-(4-chlorophenyl)propan-2-yl acetate is CC(=O)OC(C)(C)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)propan-2-yl acetate?
The InChIKey is PLMYFGFZQRZAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-8(13)14-11(2,3)9-4-6-10(12)7-5-9/h4-7H,1-3H3.
What are the key properties of 2-(4-chlorophenyl)propan-2-yl acetate?
2-(4-chlorophenyl)propan-2-yl acetate has a molecular weight of 212.68 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)propan-2-yl acetate is sourced from PubChem (CID 23447101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).