ethyl 2,3-dimethyl-2-(4-methylphenyl)butanoate

C15H22O2 — CID 117047921

IUPACethyl 2,3-dimethyl-2-(4-methylphenyl)butanoate
SMILESCCOC(=O)C(C)(c1ccc(C)cc1)C(C)C
InChIInChI=1S/C15H22O2/c1-6-17-14(16)15(5,11(2)3)13-9-7-12(4)8-10-13/h7-11H,6H2,1-5H3
InChIKeyUROKAXYPDWCMEJ-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.47
Rot. Bonds4

About ethyl 2,3-dimethyl-2-(4-methylphenyl)butanoate

ethyl 2,3-dimethyl-2-(4-methylphenyl)butanoate (PubChem CID 117047921) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is ethyl 2,3-dimethyl-2-(4-methylphenyl)butanoate.

Molecular Properties

Compound Nameethyl 2,3-dimethyl-2-(4-methylphenyl)butanoate
PubChem CID117047921
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Nameethyl 2,3-dimethyl-2-(4-methylphenyl)butanoate
SMILESCCOC(=O)C(C)(c1ccc(C)cc1)C(C)C
InChIInChI=1S/C15H22O2/c1-6-17-14(16)15(5,11(2)3)13-9-7-12(4)8-10-13/h7-11H,6H2,1-5H3
InChIKeyUROKAXYPDWCMEJ-UHFFFAOYSA-N
XLogP3.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(4-chlorophenyl)-2,3-dimethylbutanoate
CID 117047943
ethyl 2-(3-chlorophenyl)-2,3-dimethylbutanoate
CID 117047944
ethyl 2,3-dihydroxy-2-(4-methylphenyl)butanoate
CID 141091665
ethyl 2-(butan-2-ylamino)-2-(4-methylphenyl)propanoate
CID 54907922
ethyl 2,2-dichloro-2-(4-methylphenyl)acetate
CID 54230467
1-ethoxy-2-(4-methylphenyl)-1-oxopropane-2-sulfonic acid
CID 141252571
2-(4-methylphenyl)propan-2-yl 2-methylpropanoate
CID 170276277
ethyl 2-(2,4-difluorophenyl)-2,3-dimethylbutanoate
CID 117047913
ethyl 2-methyl-2-(4-methylphenyl)pent-4-enoate
CID 15139256
ethyl 2-amino-2-(4-tert-butylphenyl)propanoate
CID 3918819
ethyl 2-(ethylamino)-2-(4-methylphenyl)butanoate
CID 60787029
ethyl 2-(4-tert-butylphenyl)-2-(propan-2-ylamino)propanoate
CID 60786846

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-dimethyl-2-(4-methylphenyl)butanoate?
The IUPAC name of ethyl 2,3-dimethyl-2-(4-methylphenyl)butanoate (CID 117047921) is ethyl 2,3-dimethyl-2-(4-methylphenyl)butanoate.
What is the SMILES notation for ethyl 2,3-dimethyl-2-(4-methylphenyl)butanoate?
The canonical SMILES for ethyl 2,3-dimethyl-2-(4-methylphenyl)butanoate is CCOC(=O)C(C)(c1ccc(C)cc1)C(C)C.
What is the InChIKey of ethyl 2,3-dimethyl-2-(4-methylphenyl)butanoate?
The InChIKey is UROKAXYPDWCMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-6-17-14(16)15(5,11(2)3)13-9-7-12(4)8-10-13/h7-11H,6H2,1-5H3.
What are the key properties of ethyl 2,3-dimethyl-2-(4-methylphenyl)butanoate?
ethyl 2,3-dimethyl-2-(4-methylphenyl)butanoate has a molecular weight of 234.34 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-dimethyl-2-(4-methylphenyl)butanoate is sourced from PubChem (CID 117047921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).