2-(4-methylphenyl)propan-2-yl 2-methylpropanoate

C14H20O2 — CID 170276277

IUPAC2-(4-methylphenyl)propan-2-yl 2-methylpropanoate
SMILESCc1ccc(C(C)(C)OC(=O)C(C)C)cc1
InChIInChI=1S/C14H20O2/c1-10(2)13(15)16-14(4,5)12-8-6-11(3)7-9-12/h6-10H,1-5H3
InChIKeyIYDZGMCFXFMTKO-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.43
Rot. Bonds3

About 2-(4-methylphenyl)propan-2-yl 2-methylpropanoate

2-(4-methylphenyl)propan-2-yl 2-methylpropanoate (PubChem CID 170276277) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-(4-methylphenyl)propan-2-yl 2-methylpropanoate.

Molecular Properties

Compound Name2-(4-methylphenyl)propan-2-yl 2-methylpropanoate
PubChem CID170276277
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-(4-methylphenyl)propan-2-yl 2-methylpropanoate
SMILESCc1ccc(C(C)(C)OC(=O)C(C)C)cc1
InChIInChI=1S/C14H20O2/c1-10(2)13(15)16-14(4,5)12-8-6-11(3)7-9-12/h6-10H,1-5H3
InChIKeyIYDZGMCFXFMTKO-UHFFFAOYSA-N
XLogP3.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2,3-dimethyl-2-(4-methylphenyl)butanoate
CID 117047921
[4-[2-(2-hydroxypropanoyloxy)propan-2-yl]phenyl] 2-hydroxypropanoate
CID 58944209
[(E)-2,2,5-trimethyl-5-[4-(4-methylphenyl)phenyl]hex-3-enyl] 2-methylpropanoate
CID 144603585
methyl 2-hydroxy-2,2-bis(4-methylphenyl)acetate
CID 22574226
CID 174099504
CID 174099504
(2R)-3-methyl-2-(4-methylphenyl)butan-2-ol
CID 93299009
methyl (2R)-2-hydroxy-2-(4-methylphenyl)propanoate
CID 15626355
2-(2-propan-2-ylpyrimidin-5-yl)propan-2-yl 2-methyl-2-(4-methylphenyl)propanoate
CID 177043660
2-cyclohexa-1,5-dien-1-ylpropan-2-yl 2-methylpropanoate
CID 144560855
[1-[(E)-[1-(2-methylpropanoyloxy)-1-phenylethyl]diazenyl]-1-phenylethyl] 2-methylpropanoate
CID 15577795
methyl 2-[(4-methylbenzoyl)amino]propanoate
CID 531439
methyl 2-amino-3,3-difluoro-2-(4-methylphenyl)propanoate
CID 105486345

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)propan-2-yl 2-methylpropanoate?
The IUPAC name of 2-(4-methylphenyl)propan-2-yl 2-methylpropanoate (CID 170276277) is 2-(4-methylphenyl)propan-2-yl 2-methylpropanoate.
What is the SMILES notation for 2-(4-methylphenyl)propan-2-yl 2-methylpropanoate?
The canonical SMILES for 2-(4-methylphenyl)propan-2-yl 2-methylpropanoate is Cc1ccc(C(C)(C)OC(=O)C(C)C)cc1.
What is the InChIKey of 2-(4-methylphenyl)propan-2-yl 2-methylpropanoate?
The InChIKey is IYDZGMCFXFMTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-10(2)13(15)16-14(4,5)12-8-6-11(3)7-9-12/h6-10H,1-5H3.
What are the key properties of 2-(4-methylphenyl)propan-2-yl 2-methylpropanoate?
2-(4-methylphenyl)propan-2-yl 2-methylpropanoate has a molecular weight of 220.31 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)propan-2-yl 2-methylpropanoate is sourced from PubChem (CID 170276277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).