ethyl 3-(3-ethylphenyl)-2,2-dimethylpropanoate

C15H22O2 — CID 129262497

IUPACethyl 3-(3-ethylphenyl)-2,2-dimethylpropanoate
SMILESCCOC(=O)C(C)(C)Cc1cccc(CC)c1
InChIInChI=1S/C15H22O2/c1-5-12-8-7-9-13(10-12)11-15(3,4)14(16)17-6-2/h7-10H,5-6,11H2,1-4H3
InChIKeyHNKSJKJHTFZXSE-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.38
Rot. Bonds5

About ethyl 3-(3-ethylphenyl)-2,2-dimethylpropanoate

ethyl 3-(3-ethylphenyl)-2,2-dimethylpropanoate (PubChem CID 129262497) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is ethyl 3-(3-ethylphenyl)-2,2-dimethylpropanoate.

Molecular Properties

Compound Nameethyl 3-(3-ethylphenyl)-2,2-dimethylpropanoate
PubChem CID129262497
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Nameethyl 3-(3-ethylphenyl)-2,2-dimethylpropanoate
SMILESCCOC(=O)C(C)(C)Cc1cccc(CC)c1
InChIInChI=1S/C15H22O2/c1-5-12-8-7-9-13(10-12)11-15(3,4)14(16)17-6-2/h7-10H,5-6,11H2,1-4H3
InChIKeyHNKSJKJHTFZXSE-UHFFFAOYSA-N
XLogP3.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2,2-dimethyl-3-(4-sulfanylphenyl)propanoate
CID 4114055
methyl 4-(3-ethoxy-2,2-dimethyl-3-oxopropyl)benzoate
CID 125467449
2-[4-(3-ethoxy-2,2-dimethyl-3-oxopropyl)phenyl]acetic acid
CID 45116515
3-[3-[2-[3-(3-ethoxy-2,2-dimethyl-3-oxopropyl)phenyl]-1,3-dithian-2-yl]phenyl]-2,2-dimethylpropanoic acid
CID 23431370
ethyl 3-[4-(2-bromoethyl)phenyl]-2,2-dimethylpropanoate
CID 19957550
ethyl 2,2-dimethyl-3-thiophen-3-ylpropanoate
CID 176838352
diethyl 2-ethyl-2-[(3-methylphenyl)methyl]propanedioate
CID 103972968
methyl 3-(3-hydroxyphenyl)-2,2-dimethylpropanoate
CID 67520417
benzyl 2,2-dimethyl-3-(3-phenylmethoxyphenyl)propanoate
CID 138549970
ethyl 3-(3,4-difluoro-5-phenylmethoxyphenyl)-2,2-dimethylpropanoate
CID 57470613
diethyl 2-methyl-2-[(3-nitrophenyl)methyl]propanedioate
CID 13119616
tert-butyl 2-(3-ethylphenyl)acetate
CID 71064752

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-ethylphenyl)-2,2-dimethylpropanoate?
The IUPAC name of ethyl 3-(3-ethylphenyl)-2,2-dimethylpropanoate (CID 129262497) is ethyl 3-(3-ethylphenyl)-2,2-dimethylpropanoate.
What is the SMILES notation for ethyl 3-(3-ethylphenyl)-2,2-dimethylpropanoate?
The canonical SMILES for ethyl 3-(3-ethylphenyl)-2,2-dimethylpropanoate is CCOC(=O)C(C)(C)Cc1cccc(CC)c1.
What is the InChIKey of ethyl 3-(3-ethylphenyl)-2,2-dimethylpropanoate?
The InChIKey is HNKSJKJHTFZXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-5-12-8-7-9-13(10-12)11-15(3,4)14(16)17-6-2/h7-10H,5-6,11H2,1-4H3.
What are the key properties of ethyl 3-(3-ethylphenyl)-2,2-dimethylpropanoate?
ethyl 3-(3-ethylphenyl)-2,2-dimethylpropanoate has a molecular weight of 234.34 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-ethylphenyl)-2,2-dimethylpropanoate is sourced from PubChem (CID 129262497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).