2-phenyl-2-(2,4,6-trimethylphenyl)acetate

C17H17O2- — CID 78425392

IUPAC2-phenyl-2-(2,4,6-trimethylphenyl)acetate
SMILESCc1cc(C)c(C(C(=O)[O-])c2ccccc2)c(C)c1
InChIInChI=1S/C17H18O2/c1-11-9-12(2)15(13(3)10-11)16(17(18)19)14-7-5-4-6-8-14/h4-10,16H,1-3H3,(H,18,19)/p-1
InChIKeyRYZVPLVIQGWEIJ-UHFFFAOYSA-M
MW253.32 g/mol
LogP2.49
Rot. Bonds3

About 2-phenyl-2-(2,4,6-trimethylphenyl)acetate

2-phenyl-2-(2,4,6-trimethylphenyl)acetate (PubChem CID 78425392) has the molecular formula C17H17O2- and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-phenyl-2-(2,4,6-trimethylphenyl)acetate.

Molecular Properties

Compound Name2-phenyl-2-(2,4,6-trimethylphenyl)acetate
PubChem CID78425392
Molecular FormulaC17H17O2-
Molecular Weight253.32 g/mol
Exact Mass253.12
IUPAC Name2-phenyl-2-(2,4,6-trimethylphenyl)acetate
SMILESCc1cc(C)c(C(C(=O)[O-])c2ccccc2)c(C)c1
InChIInChI=1S/C17H18O2/c1-11-9-12(2)15(13(3)10-11)16(17(18)19)14-7-5-4-6-8-14/h4-10,16H,1-3H3,(H,18,19)/p-1
InChIKeyRYZVPLVIQGWEIJ-UHFFFAOYSA-M
XLogP2.49
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-2-phenyl-2-(2,4,6-trimethylphenyl)acetamide
CID 15050087
chloranium 2,2-diphenylacetate
CID 162326731
4-phenyl-4-(2,4,6-trimethylphenyl)butan-2-one
CID 102313835
dilithium;2-(2,4,6-trimethylphenyl)propanedioate
CID 139411164
barium(2+);2-(2,4,6-trimethylphenyl)propanedioate
CID 153423889
3,3-diphenyl-1-(2,4,6-trimethylphenyl)propan-1-one
CID 3112974
2-(2-methoxyphenyl)-2-phenylacetate
CID 57353343
2-[(1S)-2-hydroxy-1-phenylethyl]-3,5-dimethylphenol
CID 23628862
3-phenyl-2-(2,4,6-trimethylphenyl)propanoic acid
CID 82139246
2-iodosyl-1,3,5-trimethylbenzene dibenzoate
CID 22159621
2,2-diphenylacetic acid;4-methylbenzenesulfonic acid
CID 174514296
2-anilino-2-(2,4,6-trimethylphenyl)acetic acid
CID 60992437

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(2,4,6-trimethylphenyl)acetate?
The IUPAC name of 2-phenyl-2-(2,4,6-trimethylphenyl)acetate (CID 78425392) is 2-phenyl-2-(2,4,6-trimethylphenyl)acetate.
What is the SMILES notation for 2-phenyl-2-(2,4,6-trimethylphenyl)acetate?
The canonical SMILES for 2-phenyl-2-(2,4,6-trimethylphenyl)acetate is Cc1cc(C)c(C(C(=O)[O-])c2ccccc2)c(C)c1.
What is the InChIKey of 2-phenyl-2-(2,4,6-trimethylphenyl)acetate?
The InChIKey is RYZVPLVIQGWEIJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H18O2/c1-11-9-12(2)15(13(3)10-11)16(17(18)19)14-7-5-4-6-8-14/h4-10,16H,1-3H3,(H,18,19)/p-1.
What are the key properties of 2-phenyl-2-(2,4,6-trimethylphenyl)acetate?
2-phenyl-2-(2,4,6-trimethylphenyl)acetate has a molecular weight of 253.32 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(2,4,6-trimethylphenyl)acetate is sourced from PubChem (CID 78425392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).