1-(2,5-dimethoxyphenyl)-2,2-dimethoxyethanone

C12H16O5 — CID 79492414

IUPAC1-(2,5-dimethoxyphenyl)-2,2-dimethoxyethanone
SMILESCOc1ccc(OC)c(C(=O)C(OC)OC)c1
InChIInChI=1S/C12H16O5/c1-14-8-5-6-10(15-2)9(7-8)11(13)12(16-3)17-4/h5-7,12H,1-4H3
InChIKeyDAPXQKQVGBVUCN-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.51
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-2,2-dimethoxyethanone

1-(2,5-dimethoxyphenyl)-2,2-dimethoxyethanone (PubChem CID 79492414) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2,2-dimethoxyethanone.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2,2-dimethoxyethanone
PubChem CID79492414
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name1-(2,5-dimethoxyphenyl)-2,2-dimethoxyethanone
SMILESCOc1ccc(OC)c(C(=O)C(OC)OC)c1
InChIInChI=1S/C12H16O5/c1-14-8-5-6-10(15-2)9(7-8)11(13)12(16-3)17-4/h5-7,12H,1-4H3
InChIKeyDAPXQKQVGBVUCN-UHFFFAOYSA-N
XLogP1.51
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(2,5-dimethoxyphenyl)-2,2-dimethoxyethanone 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

2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanone
CID 82626892
methyl 3-(2,5-dimethoxyphenyl)-2-methyl-3-oxopropanoate
CID 112508924
2-chloro-1-(2,5-dimethoxyphenyl)butan-1-one
CID 82254816
methyl 2-chloro-3-(2,5-dimethoxyphenyl)-3-oxopropanoate
CID 112513730
1-(2,5-dimethoxyphenyl)-2-(propan-2-ylamino)propan-1-one
CID 82101101
(2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate
CID 122207257
1-(2,5-dimethoxyphenyl)-2-ethoxybutan-1-one
CID 116707667
4-amino-5-(2,5-dimethoxyphenyl)-5-oxopentanoic acid
CID 82348759
2-(4-aminophenoxy)-1-(2,5-dimethoxyphenyl)propan-1-one
CID 46307670
methyl N-[(2S)-1-(2,5-dimethoxyphenyl)-1-oxopropan-2-yl]carbamoperoxoate
CID 141070388
2-(4-aminophenoxy)-1-(2,5-dimethoxyphenyl)butan-1-one
CID 46307671
2-bromo-1-(2,5-dimethoxyphenyl)-2,2-difluoroethanone
CID 146006289

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2,2-dimethoxyethanone?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2,2-dimethoxyethanone (CID 79492414) is 1-(2,5-dimethoxyphenyl)-2,2-dimethoxyethanone.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2,2-dimethoxyethanone?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2,2-dimethoxyethanone is COc1ccc(OC)c(C(=O)C(OC)OC)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2,2-dimethoxyethanone?
The InChIKey is DAPXQKQVGBVUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O5/c1-14-8-5-6-10(15-2)9(7-8)11(13)12(16-3)17-4/h5-7,12H,1-4H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2,2-dimethoxyethanone?
1-(2,5-dimethoxyphenyl)-2,2-dimethoxyethanone has a molecular weight of 240.25 g/mol, XLogP of 1.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2,2-dimethoxyethanone is sourced from PubChem (CID 79492414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).