2-methoxyethyl 4-acetylbenzoate

C12H14O4 — CID 18721140

IUPAC2-methoxyethyl 4-acetylbenzoate
SMILESCOCCOC(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C12H14O4/c1-9(13)10-3-5-11(6-4-10)12(14)16-8-7-15-2/h3-6H,7-8H2,1-2H3
InChIKeyBKRAULVSYGWORH-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.69
Rot. Bonds5

About 2-methoxyethyl 4-acetylbenzoate

2-methoxyethyl 4-acetylbenzoate (PubChem CID 18721140) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-methoxyethyl 4-acetylbenzoate.

Molecular Properties

Compound Name2-methoxyethyl 4-acetylbenzoate
PubChem CID18721140
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name2-methoxyethyl 4-acetylbenzoate
SMILESCOCCOC(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C12H14O4/c1-9(13)10-3-5-11(6-4-10)12(14)16-8-7-15-2/h3-6H,7-8H2,1-2H3
InChIKeyBKRAULVSYGWORH-UHFFFAOYSA-N
XLogP1.69
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 2345
CID 2345
CID 3026
CID 3026
CID 6781
CID 6781
CID 61361
CID 61361
CID 7150
CID 7150
CID 8561
CID 8561
CID 8441
CID 8441
CID 8698
CID 8698
CID 8559
CID 8559
CID 8344
CID 8344
CID 22932
CID 22932
CID 6786
CID 6786

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 4-acetylbenzoate?
The IUPAC name of 2-methoxyethyl 4-acetylbenzoate (CID 18721140) is 2-methoxyethyl 4-acetylbenzoate.
What is the SMILES notation for 2-methoxyethyl 4-acetylbenzoate?
The canonical SMILES for 2-methoxyethyl 4-acetylbenzoate is COCCOC(=O)c1ccc(C(C)=O)cc1.
What is the InChIKey of 2-methoxyethyl 4-acetylbenzoate?
The InChIKey is BKRAULVSYGWORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-9(13)10-3-5-11(6-4-10)12(14)16-8-7-15-2/h3-6H,7-8H2,1-2H3.
What are the key properties of 2-methoxyethyl 4-acetylbenzoate?
2-methoxyethyl 4-acetylbenzoate has a molecular weight of 222.24 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-acetylbenzoate is sourced from PubChem (CID 18721140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).