ethyl 2-(2,5-dimethylphenyl)-2-methylpropanoate

C14H20O2 — CID 62550626

IUPACethyl 2-(2,5-dimethylphenyl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)c1cc(C)ccc1C
InChIInChI=1S/C14H20O2/c1-6-16-13(15)14(4,5)12-9-10(2)7-8-11(12)3/h7-9H,6H2,1-5H3
InChIKeyWZFPFRGJBLMJIM-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.14
Rot. Bonds3

About ethyl 2-(2,5-dimethylphenyl)-2-methylpropanoate

ethyl 2-(2,5-dimethylphenyl)-2-methylpropanoate (PubChem CID 62550626) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is ethyl 2-(2,5-dimethylphenyl)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-(2,5-dimethylphenyl)-2-methylpropanoate
PubChem CID62550626
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Nameethyl 2-(2,5-dimethylphenyl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)c1cc(C)ccc1C
InChIInChI=1S/C14H20O2/c1-6-16-13(15)14(4,5)12-9-10(2)7-8-11(12)3/h7-9H,6H2,1-5H3
InChIKeyWZFPFRGJBLMJIM-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-hydroxy-2-(2-hydroxy-5-methylphenyl)propanoate
CID 13307804
diethyl 2-[(2,5-dimethylphenyl)methyl]-2-methylpropanedioate
CID 103972624
ethyl 2-(2,5-dimethylphenyl)-2-(prop-2-ynylamino)propanoate
CID 55063389
ethyl 2-(2,5-dimethylphenyl)-2-(2-methoxyethylamino)propanoate
CID 62541176
ethyl 2-(2-methoxy-3,4-dimethylphenyl)-2-methylpropanoate
CID 103434200
ethyl 3-amino-3-(2,4-dimethylphenyl)butanoate
CID 79848686
ethyl 3-(2,5-dimethylphenoxy)-2,2-dimethylpropanoate
CID 146594255
ethyl 2-(cyclopropylmethylamino)-2-(2,5-dimethylphenyl)propanoate
CID 61001487
ethyl 2-(cyclopentylamino)-2-(2,5-dimethylphenyl)propanoate
CID 60998776
ethyl 2-[2-(dimethylamino)ethylamino]-2-(2,5-dimethylphenyl)propanoate
CID 61002169
ethyl 2-(3-chloro-4-methylphenyl)-2-methylpropanoate
CID 105426730
ethyl 2-(2-methoxy-3-methylphenyl)-2-methylpropanoate
CID 105497849

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,5-dimethylphenyl)-2-methylpropanoate?
The IUPAC name of ethyl 2-(2,5-dimethylphenyl)-2-methylpropanoate (CID 62550626) is ethyl 2-(2,5-dimethylphenyl)-2-methylpropanoate.
What is the SMILES notation for ethyl 2-(2,5-dimethylphenyl)-2-methylpropanoate?
The canonical SMILES for ethyl 2-(2,5-dimethylphenyl)-2-methylpropanoate is CCOC(=O)C(C)(C)c1cc(C)ccc1C.
What is the InChIKey of ethyl 2-(2,5-dimethylphenyl)-2-methylpropanoate?
The InChIKey is WZFPFRGJBLMJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-6-16-13(15)14(4,5)12-9-10(2)7-8-11(12)3/h7-9H,6H2,1-5H3.
What are the key properties of ethyl 2-(2,5-dimethylphenyl)-2-methylpropanoate?
ethyl 2-(2,5-dimethylphenyl)-2-methylpropanoate has a molecular weight of 220.31 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,5-dimethylphenyl)-2-methylpropanoate is sourced from PubChem (CID 62550626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).