2,3-dimethoxypropyl 2-(4-methylphenyl)acetate

C14H20O4 — CID 166156189

IUPAC2,3-dimethoxypropyl 2-(4-methylphenyl)acetate
SMILESCOCC(COC(=O)Cc1ccc(C)cc1)OC
InChIInChI=1S/C14H20O4/c1-11-4-6-12(7-5-11)8-14(15)18-10-13(17-3)9-16-2/h4-7,13H,8-10H2,1-3H3
InChIKeySIVXKCFMWRUYOG-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.74
Rot. Bonds7

About 2,3-dimethoxypropyl 2-(4-methylphenyl)acetate

2,3-dimethoxypropyl 2-(4-methylphenyl)acetate (PubChem CID 166156189) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2,3-dimethoxypropyl 2-(4-methylphenyl)acetate.

Molecular Properties

Compound Name2,3-dimethoxypropyl 2-(4-methylphenyl)acetate
PubChem CID166156189
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name2,3-dimethoxypropyl 2-(4-methylphenyl)acetate
SMILESCOCC(COC(=O)Cc1ccc(C)cc1)OC
InChIInChI=1S/C14H20O4/c1-11-4-6-12(7-5-11)8-14(15)18-10-13(17-3)9-16-2/h4-7,13H,8-10H2,1-3H3
InChIKeySIVXKCFMWRUYOG-UHFFFAOYSA-N
XLogP1.74
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxypropyl 2-(4-methylphenyl)acetate?
The IUPAC name of 2,3-dimethoxypropyl 2-(4-methylphenyl)acetate (CID 166156189) is 2,3-dimethoxypropyl 2-(4-methylphenyl)acetate.
What is the SMILES notation for 2,3-dimethoxypropyl 2-(4-methylphenyl)acetate?
The canonical SMILES for 2,3-dimethoxypropyl 2-(4-methylphenyl)acetate is COCC(COC(=O)Cc1ccc(C)cc1)OC.
What is the InChIKey of 2,3-dimethoxypropyl 2-(4-methylphenyl)acetate?
The InChIKey is SIVXKCFMWRUYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-11-4-6-12(7-5-11)8-14(15)18-10-13(17-3)9-16-2/h4-7,13H,8-10H2,1-3H3.
What are the key properties of 2,3-dimethoxypropyl 2-(4-methylphenyl)acetate?
2,3-dimethoxypropyl 2-(4-methylphenyl)acetate has a molecular weight of 252.31 g/mol, XLogP of 1.74, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxypropyl 2-(4-methylphenyl)acetate is sourced from PubChem (CID 166156189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).