ethyl 3-(2,5-dimethylphenoxy)-2,2-dimethylpropanoate

C15H22O3 — CID 146594255

IUPACethyl 3-(2,5-dimethylphenoxy)-2,2-dimethylpropanoate
SMILESCCOC(=O)C(C)(C)COc1cc(C)ccc1C
InChIInChI=1S/C15H22O3/c1-6-17-14(16)15(4,5)10-18-13-9-11(2)7-8-12(13)3/h7-9H,6,10H2,1-5H3
InChIKeySGAABSAKBHUHDB-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.27
Rot. Bonds5

About ethyl 3-(2,5-dimethylphenoxy)-2,2-dimethylpropanoate

ethyl 3-(2,5-dimethylphenoxy)-2,2-dimethylpropanoate (PubChem CID 146594255) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is ethyl 3-(2,5-dimethylphenoxy)-2,2-dimethylpropanoate.

Molecular Properties

Compound Nameethyl 3-(2,5-dimethylphenoxy)-2,2-dimethylpropanoate
PubChem CID146594255
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Nameethyl 3-(2,5-dimethylphenoxy)-2,2-dimethylpropanoate
SMILESCCOC(=O)C(C)(C)COc1cc(C)ccc1C
InChIInChI=1S/C15H22O3/c1-6-17-14(16)15(4,5)10-18-13-9-11(2)7-8-12(13)3/h7-9H,6,10H2,1-5H3
InChIKeySGAABSAKBHUHDB-UHFFFAOYSA-N
XLogP3.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2,5-dimethylphenyl)-2-methylpropanoate
CID 62550626
2-(2,5-dimethylphenoxy)-N,N-diethylacetamide
CID 920931
2-(2,5-dimethylphenoxy)-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82723508
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-2,2-dimethylpropanoic acid
CID 81368937
methyl 3-(2-chloro-4-methylphenoxy)-2,2-dimethylpropanoate
CID 79622455
1,4-dimethyl-2-pentoxybenzene;ethane;ethyl 3,3-dimethyl-4-oxohexanoate
CID 142825941
2-[(2,5-dimethylphenoxy)methyl]-2,4-dimethylpentanoic acid
CID 165164903
(3-methyl-3-nitroso-2,4-dioxohexyl) 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate
CID 18710721
ethyl (2R)-5-(2,5-dimethylphenoxy)-2-ethylpentanoate
CID 101154521
methyl 2-(2,5-dimethylphenoxy)acetate
CID 729953
pent-4-ynyl 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate
CID 176607282
diethyl 2-[(2,5-dimethylphenyl)methyl]-2-methylpropanedioate
CID 103972624

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,5-dimethylphenoxy)-2,2-dimethylpropanoate?
The IUPAC name of ethyl 3-(2,5-dimethylphenoxy)-2,2-dimethylpropanoate (CID 146594255) is ethyl 3-(2,5-dimethylphenoxy)-2,2-dimethylpropanoate.
What is the SMILES notation for ethyl 3-(2,5-dimethylphenoxy)-2,2-dimethylpropanoate?
The canonical SMILES for ethyl 3-(2,5-dimethylphenoxy)-2,2-dimethylpropanoate is CCOC(=O)C(C)(C)COc1cc(C)ccc1C.
What is the InChIKey of ethyl 3-(2,5-dimethylphenoxy)-2,2-dimethylpropanoate?
The InChIKey is SGAABSAKBHUHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-6-17-14(16)15(4,5)10-18-13-9-11(2)7-8-12(13)3/h7-9H,6,10H2,1-5H3.
What are the key properties of ethyl 3-(2,5-dimethylphenoxy)-2,2-dimethylpropanoate?
ethyl 3-(2,5-dimethylphenoxy)-2,2-dimethylpropanoate has a molecular weight of 250.34 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,5-dimethylphenoxy)-2,2-dimethylpropanoate is sourced from PubChem (CID 146594255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).