2-(4-methoxyphenoxy)-2-methylpropanoate

C11H13O4- — CID 7645712

IUPAC2-(4-methoxyphenoxy)-2-methylpropanoate
SMILESCOc1ccc(OC(C)(C)C(=O)[O-])cc1
InChIInChI=1S/C11H14O4/c1-11(2,10(12)13)15-9-6-4-8(14-3)5-7-9/h4-7H,1-3H3,(H,12,13)/p-1
InChIKeyTYXBNNMNAWNFHW-UHFFFAOYSA-M
MW209.22 g/mol
LogP0.60
Rot. Bonds4

About 2-(4-methoxyphenoxy)-2-methylpropanoate

2-(4-methoxyphenoxy)-2-methylpropanoate (PubChem CID 7645712) has the molecular formula C11H13O4- and a molecular weight of 209.22 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-2-methylpropanoate.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-2-methylpropanoate
PubChem CID7645712
Molecular FormulaC11H13O4-
Molecular Weight209.22 g/mol
Exact Mass209.08
IUPAC Name2-(4-methoxyphenoxy)-2-methylpropanoate
SMILESCOc1ccc(OC(C)(C)C(=O)[O-])cc1
InChIInChI=1S/C11H14O4/c1-11(2,10(12)13)15-9-6-4-8(14-3)5-7-9/h4-7H,1-3H3,(H,12,13)/p-1
InChIKeyTYXBNNMNAWNFHW-UHFFFAOYSA-M
XLogP0.60
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-2-methylpropanoate
CID 6918953
2-[4-(2-aminoethyl)phenoxy]-2-methylpropanoate
CID 23123927
bis(2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate);piperazine-1,4-diium
CID 169425946
bis(4-methoxyphenyl)-phenylsulfanium;2,2,2-trifluoroacetate
CID 172778932
1-methoxy-4-(2-methylbut-3-yn-2-yloxy)benzene
CID 11830222
(4-methoxyphenyl) 2-(4-chlorophenoxy)-2-methylpropanoate;propanoic acid
CID 174633025
4-methoxybenzoic acid;silver
CID 140722019
4-methoxybenzoic acid;hydrobromide
CID 172731707
N-(2-hydroxy-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 65112797
1-(4-methoxyphenyl)-2-methyl-2-trimethylsilyloxypropan-1-one
CID 101490737
2-(4-chlorophenoxy)-N-(3,5-dimethoxyphenyl)-2-methylpropanamide
CID 848261
sodium (Z)-3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpent-3-enoate
CID 21354868

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-2-methylpropanoate?
The IUPAC name of 2-(4-methoxyphenoxy)-2-methylpropanoate (CID 7645712) is 2-(4-methoxyphenoxy)-2-methylpropanoate.
What is the SMILES notation for 2-(4-methoxyphenoxy)-2-methylpropanoate?
The canonical SMILES for 2-(4-methoxyphenoxy)-2-methylpropanoate is COc1ccc(OC(C)(C)C(=O)[O-])cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-2-methylpropanoate?
The InChIKey is TYXBNNMNAWNFHW-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H14O4/c1-11(2,10(12)13)15-9-6-4-8(14-3)5-7-9/h4-7H,1-3H3,(H,12,13)/p-1.
What are the key properties of 2-(4-methoxyphenoxy)-2-methylpropanoate?
2-(4-methoxyphenoxy)-2-methylpropanoate has a molecular weight of 209.22 g/mol, XLogP of 0.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-2-methylpropanoate is sourced from PubChem (CID 7645712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).