(2,5-dimethoxyphenyl)methyl 2,2-dimethylpropanoate

C14H20O4 — CID 10933987

IUPAC(2,5-dimethoxyphenyl)methyl 2,2-dimethylpropanoate
SMILESCOc1ccc(OC)c(COC(=O)C(C)(C)C)c1
InChIInChI=1S/C14H20O4/c1-14(2,3)13(15)18-9-10-8-11(16-4)6-7-12(10)17-5/h6-8H,9H2,1-5H3
InChIKeyRBSPEJXOYKDSMT-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.79
Rot. Bonds4

About (2,5-dimethoxyphenyl)methyl 2,2-dimethylpropanoate

(2,5-dimethoxyphenyl)methyl 2,2-dimethylpropanoate (PubChem CID 10933987) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)methyl 2,2-dimethylpropanoate
PubChem CID10933987
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name(2,5-dimethoxyphenyl)methyl 2,2-dimethylpropanoate
SMILESCOc1ccc(OC)c(COC(=O)C(C)(C)C)c1
InChIInChI=1S/C14H20O4/c1-14(2,3)13(15)18-9-10-8-11(16-4)6-7-12(10)17-5/h6-8H,9H2,1-5H3
InChIKeyRBSPEJXOYKDSMT-UHFFFAOYSA-N
XLogP2.79
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethoxyphenyl)-4,4-dimethylpentan-3-one
CID 64503606
(2,5-dimethoxyphenyl)methyl 3-methoxybenzoate
CID 18155855
(2-acetyloxy-5-methoxyphenyl)methyl acetate
CID 14531143
(2,5-dimethoxyphenyl)methyl 2-chlorobenzoate
CID 60606971
(3-hydroxy-4-methoxyphenyl)methyl 2,2-dimethylpropanoate
CID 10585997
2-(2,5-dimethoxyphenyl)-N-methoxyacetamide
CID 78829398
(2,5-dimethoxyphenyl)methyl morpholine-4-carboxylate
CID 150562472
(2,5-dimethoxyphenyl)methyl 2-methylfuran-3-carboxylate
CID 78815298
2-(2,5-dimethoxyphenyl)ethyl carbamate
CID 175601601
(2,5-dimethoxyphenyl)methyl 3-(4-fluorophenyl)butanoate
CID 60541598
(5-bromo-2-methoxyphenyl)methyl 2,2,2-trifluoroacetate
CID 91742074
2-(2,5-dimethoxyphenyl)ethyl-methylcarbamothioic S-acid
CID 115170385

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)methyl 2,2-dimethylpropanoate?
The IUPAC name of (2,5-dimethoxyphenyl)methyl 2,2-dimethylpropanoate (CID 10933987) is (2,5-dimethoxyphenyl)methyl 2,2-dimethylpropanoate.
What is the SMILES notation for (2,5-dimethoxyphenyl)methyl 2,2-dimethylpropanoate?
The canonical SMILES for (2,5-dimethoxyphenyl)methyl 2,2-dimethylpropanoate is COc1ccc(OC)c(COC(=O)C(C)(C)C)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)methyl 2,2-dimethylpropanoate?
The InChIKey is RBSPEJXOYKDSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-14(2,3)13(15)18-9-10-8-11(16-4)6-7-12(10)17-5/h6-8H,9H2,1-5H3.
What are the key properties of (2,5-dimethoxyphenyl)methyl 2,2-dimethylpropanoate?
(2,5-dimethoxyphenyl)methyl 2,2-dimethylpropanoate has a molecular weight of 252.31 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 10933987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).