(2,5-dimethoxyphenyl)-(oxiran-2-yl)methanone

C11H12O4 — CID 116826400

IUPAC(2,5-dimethoxyphenyl)-(oxiran-2-yl)methanone
SMILESCOc1ccc(OC)c(C(=O)C2CO2)c1
InChIInChI=1S/C11H12O4/c1-13-7-3-4-9(14-2)8(5-7)11(12)10-6-15-10/h3-5,10H,6H2,1-2H3
InChIKeyPQAINANENPDFFK-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.29
Rot. Bonds4

About (2,5-dimethoxyphenyl)-(oxiran-2-yl)methanone

(2,5-dimethoxyphenyl)-(oxiran-2-yl)methanone (PubChem CID 116826400) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-(oxiran-2-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-(oxiran-2-yl)methanone
PubChem CID116826400
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name(2,5-dimethoxyphenyl)-(oxiran-2-yl)methanone
SMILESCOc1ccc(OC)c(C(=O)C2CO2)c1
InChIInChI=1S/C11H12O4/c1-13-7-3-4-9(14-2)8(5-7)11(12)10-6-15-10/h3-5,10H,6H2,1-2H3
InChIKeyPQAINANENPDFFK-UHFFFAOYSA-N
XLogP1.29
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

oxiran-2-yl-(2,4,5-trimethoxyphenyl)methanone
CID 116826500
(2,5-dimethoxyphenyl)-(4-propylmorpholin-2-yl)methanone
CID 79663278
2-(2,5-dimethoxybenzoyl)cyclopropane-1-carboxylic acid
CID 116918493
(2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate
CID 122207257
(2,5-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanone
CID 114975483
2-bicyclo[2.2.1]heptanyl-(2,5-dimethoxyphenyl)methanone
CID 61364147
(2,5-dimethoxyphenyl)-(1,4-dithian-2-yl)methanone
CID 79972621
cyclohexyl-(2,5-dimethoxyphenyl)methanone;cyclohexyl-(2-hydroxy-5-methoxyphenyl)methanone
CID 68924260
3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
CID 10149089
(2,5-dimethoxyphenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone
CID 24723535
(2,5-dimethoxyphenyl)-[2-(4-fluoro-3-hydroxyphenyl)cyclopropyl]methanone
CID 22491220
N-cyclohexyl-2,5-dimethoxybenzamide
CID 8573659

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-(oxiran-2-yl)methanone?
The IUPAC name of (2,5-dimethoxyphenyl)-(oxiran-2-yl)methanone (CID 116826400) is (2,5-dimethoxyphenyl)-(oxiran-2-yl)methanone.
What is the SMILES notation for (2,5-dimethoxyphenyl)-(oxiran-2-yl)methanone?
The canonical SMILES for (2,5-dimethoxyphenyl)-(oxiran-2-yl)methanone is COc1ccc(OC)c(C(=O)C2CO2)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)-(oxiran-2-yl)methanone?
The InChIKey is PQAINANENPDFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-13-7-3-4-9(14-2)8(5-7)11(12)10-6-15-10/h3-5,10H,6H2,1-2H3.
What are the key properties of (2,5-dimethoxyphenyl)-(oxiran-2-yl)methanone?
(2,5-dimethoxyphenyl)-(oxiran-2-yl)methanone has a molecular weight of 208.21 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-(oxiran-2-yl)methanone is sourced from PubChem (CID 116826400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).