oxiran-2-yl-(2,4,5-trimethoxyphenyl)methanone

C12H14O5 — CID 116826500

IUPACoxiran-2-yl-(2,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(OC)c(C(=O)C2CO2)cc1OC
InChIInChI=1S/C12H14O5/c1-14-8-5-10(16-3)9(15-2)4-7(8)12(13)11-6-17-11/h4-5,11H,6H2,1-3H3
InChIKeyGMCSGXMLPUUKBD-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.29
Rot. Bonds5

About oxiran-2-yl-(2,4,5-trimethoxyphenyl)methanone

oxiran-2-yl-(2,4,5-trimethoxyphenyl)methanone (PubChem CID 116826500) has the molecular formula C12H14O5 and a molecular weight of 238.24 g/mol. Its IUPAC name is oxiran-2-yl-(2,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Nameoxiran-2-yl-(2,4,5-trimethoxyphenyl)methanone
PubChem CID116826500
Molecular FormulaC12H14O5
Molecular Weight238.24 g/mol
Exact Mass238.08
IUPAC Nameoxiran-2-yl-(2,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(OC)c(C(=O)C2CO2)cc1OC
InChIInChI=1S/C12H14O5/c1-14-8-5-10(16-3)9(15-2)4-7(8)12(13)11-6-17-11/h4-5,11H,6H2,1-3H3
InChIKeyGMCSGXMLPUUKBD-UHFFFAOYSA-N
XLogP1.29
TPSA57.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze oxiran-2-yl-(2,4,5-trimethoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-dimethoxyphenyl)-(oxiran-2-yl)methanone
CID 116826400
(4-methoxy-2,3,5-trimethylphenyl)-(oxiran-2-yl)methanone
CID 116826450
2,4,5-trimethoxy-N-(1-oxaspiro[4.5]decan-3-yl)benzamide
CID 118762504
N-cyclooctyl-2,4,5-trimethoxybenzamide
CID 912719
(2-fluoro-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanone
CID 79759374
2,4,5-trimethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 1089289
[2-(oxirane-2-carbonyl)phenyl]-(oxiran-2-yl)methanone
CID 141300855
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 27232905
(4-chloro-2,5-dimethoxyphenyl)-cyclopropylmethanone
CID 82268057
(5-bromo-2-methoxyphenyl)-(oxan-2-yl)methanone
CID 55048137
(2,5-dimethoxy-4-phosphanylcarbonylphenyl)-phosphanylmethanone
CID 70886468
2,4,5-trimethoxy-N-propylbenzamide
CID 32736700

Frequently Asked Questions

What is the IUPAC name of oxiran-2-yl-(2,4,5-trimethoxyphenyl)methanone?
The IUPAC name of oxiran-2-yl-(2,4,5-trimethoxyphenyl)methanone (CID 116826500) is oxiran-2-yl-(2,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for oxiran-2-yl-(2,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for oxiran-2-yl-(2,4,5-trimethoxyphenyl)methanone is COc1cc(OC)c(C(=O)C2CO2)cc1OC.
What is the InChIKey of oxiran-2-yl-(2,4,5-trimethoxyphenyl)methanone?
The InChIKey is GMCSGXMLPUUKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O5/c1-14-8-5-10(16-3)9(15-2)4-7(8)12(13)11-6-17-11/h4-5,11H,6H2,1-3H3.
What are the key properties of oxiran-2-yl-(2,4,5-trimethoxyphenyl)methanone?
oxiran-2-yl-(2,4,5-trimethoxyphenyl)methanone has a molecular weight of 238.24 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-yl-(2,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 116826500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).