tert-butyl 2-(4-methylphenyl)-2-phenylacetate

C19H22O2 — CID 142375777

IUPACtert-butyl 2-(4-methylphenyl)-2-phenylacetate
SMILESCc1ccc(C(C(=O)OC(C)(C)C)c2ccccc2)cc1
InChIInChI=1S/C19H22O2/c1-14-10-12-16(13-11-14)17(15-8-6-5-7-9-15)18(20)21-19(2,3)4/h5-13,17H,1-4H3
InChIKeyLIIUCUHUHMHTQQ-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.47
Rot. Bonds3

About tert-butyl 2-(4-methylphenyl)-2-phenylacetate

tert-butyl 2-(4-methylphenyl)-2-phenylacetate (PubChem CID 142375777) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is tert-butyl 2-(4-methylphenyl)-2-phenylacetate.

Molecular Properties

Compound Nametert-butyl 2-(4-methylphenyl)-2-phenylacetate
PubChem CID142375777
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Nametert-butyl 2-(4-methylphenyl)-2-phenylacetate
SMILESCc1ccc(C(C(=O)OC(C)(C)C)c2ccccc2)cc1
InChIInChI=1S/C19H22O2/c1-14-10-12-16(13-11-14)17(15-8-6-5-7-9-15)18(20)21-19(2,3)4/h5-13,17H,1-4H3
InChIKeyLIIUCUHUHMHTQQ-UHFFFAOYSA-N
XLogP4.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2R)-2-(4-methylphenyl)-2-phenylacetate
CID 54311643
tert-butyl carbamate;tert-butyl 2-(4-methylphenyl)-2-phenylacetate;2-(3,5-difluorophenyl)-2-(4-methoxyphenyl)acetic acid;methanamine
CID 142375776
tert-butyl (2R,3R)-3-hydroxy-2-[(R)-(4-methylphenyl)sulfinyl]-3-phenylpropanoate
CID 11132146
tert-butyl (2S)-2-amino-3-(4-methylphenyl)butanoate
CID 138660183
tert-butyl carbamate;1-methyl-4-phenylbenzene
CID 174572065
tert-butyl (2R)-2-cyclopentyl-2-(4-methylphenyl)acetate
CID 129363718
tert-butyl 4,5-diamino-2-benzyl-3-hydroxy-5-(4-methylphenyl)pentanoate
CID 57287882
tert-butyl 3-chloro-3-oxo-2-phenylpropanoate
CID 20529658
(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenylbutanoic acid
CID 174297435
tert-butyl 3-hydroxy-2-methyl-3-phenylpropanoate
CID 571985
tert-butyl 2-methyl-3-(4-methylphenyl)-3-oxopropanoate
CID 66338337
[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2,2-diphenylacetate
CID 2926355

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(4-methylphenyl)-2-phenylacetate?
The IUPAC name of tert-butyl 2-(4-methylphenyl)-2-phenylacetate (CID 142375777) is tert-butyl 2-(4-methylphenyl)-2-phenylacetate.
What is the SMILES notation for tert-butyl 2-(4-methylphenyl)-2-phenylacetate?
The canonical SMILES for tert-butyl 2-(4-methylphenyl)-2-phenylacetate is Cc1ccc(C(C(=O)OC(C)(C)C)c2ccccc2)cc1.
What is the InChIKey of tert-butyl 2-(4-methylphenyl)-2-phenylacetate?
The InChIKey is LIIUCUHUHMHTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-14-10-12-16(13-11-14)17(15-8-6-5-7-9-15)18(20)21-19(2,3)4/h5-13,17H,1-4H3.
What are the key properties of tert-butyl 2-(4-methylphenyl)-2-phenylacetate?
tert-butyl 2-(4-methylphenyl)-2-phenylacetate has a molecular weight of 282.38 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(4-methylphenyl)-2-phenylacetate is sourced from PubChem (CID 142375777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).