2-(3,4-dimethoxyphenyl)-1-(1,4-dioxan-2-yl)ethanone

C14H18O5 — CID 62805451

IUPAC2-(3,4-dimethoxyphenyl)-1-(1,4-dioxan-2-yl)ethanone
SMILESCOc1ccc(CC(=O)C2COCCO2)cc1OC
InChIInChI=1S/C14H18O5/c1-16-12-4-3-10(8-13(12)17-2)7-11(15)14-9-18-5-6-19-14/h3-4,8,14H,5-7,9H2,1-2H3
InChIKeyCSUUGIBBDQUPRF-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.23
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-1-(1,4-dioxan-2-yl)ethanone

2-(3,4-dimethoxyphenyl)-1-(1,4-dioxan-2-yl)ethanone (PubChem CID 62805451) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-(1,4-dioxan-2-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-(1,4-dioxan-2-yl)ethanone
PubChem CID62805451
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name2-(3,4-dimethoxyphenyl)-1-(1,4-dioxan-2-yl)ethanone
SMILESCOc1ccc(CC(=O)C2COCCO2)cc1OC
InChIInChI=1S/C14H18O5/c1-16-12-4-3-10(8-13(12)17-2)7-11(15)14-9-18-5-6-19-14/h3-4,8,14H,5-7,9H2,1-2H3
InChIKeyCSUUGIBBDQUPRF-UHFFFAOYSA-N
XLogP1.23
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-(oxolan-3-yl)acetamide
CID 77089658
2-(3-bromophenyl)-1-(1,4-dioxan-2-yl)ethanone
CID 62803295
2-(3-fluoro-4-methoxyphenyl)-1-(1,4-oxathian-2-yl)ethanone
CID 79965827
1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanone
CID 60863000
2-[(3,4-dimethoxyphenyl)methyl]-1,3-dioxolane
CID 24727770
2-[4-methoxy-3-(oxetan-3-yloxy)phenyl]acetic acid
CID 115004769
1-(1,4-dioxan-2-yl)-2-thiophen-3-ylethanone
CID 62805450
1-(3,4-dimethoxyphenyl)-4-hydroxybutane-2,3-dione
CID 69126114
1-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-2-one
CID 117415306
2-(3,4-dimethoxyphenyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 3373584
2-(3,4-dimethoxyphenyl)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]acetamide
CID 108558758
N-(5-bromo-2-methoxyphenyl)-1,4-dioxane-2-carboxamide
CID 55110367

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(1,4-dioxan-2-yl)ethanone?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(1,4-dioxan-2-yl)ethanone (CID 62805451) is 2-(3,4-dimethoxyphenyl)-1-(1,4-dioxan-2-yl)ethanone.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-(1,4-dioxan-2-yl)ethanone?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-(1,4-dioxan-2-yl)ethanone is COc1ccc(CC(=O)C2COCCO2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-(1,4-dioxan-2-yl)ethanone?
The InChIKey is CSUUGIBBDQUPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-16-12-4-3-10(8-13(12)17-2)7-11(15)14-9-18-5-6-19-14/h3-4,8,14H,5-7,9H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-(1,4-dioxan-2-yl)ethanone?
2-(3,4-dimethoxyphenyl)-1-(1,4-dioxan-2-yl)ethanone has a molecular weight of 266.29 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1-(1,4-dioxan-2-yl)ethanone is sourced from PubChem (CID 62805451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).