2,2-diethoxy-1-(4-methoxyphenyl)ethanone

C13H18O4 — CID 10130946

IUPAC2,2-diethoxy-1-(4-methoxyphenyl)ethanone
SMILESCCOC(OCC)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H18O4/c1-4-16-13(17-5-2)12(14)10-6-8-11(15-3)9-7-10/h6-9,13H,4-5H2,1-3H3
InChIKeyUBVAZGGQCFMFKW-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.28
Rot. Bonds7

About 2,2-diethoxy-1-(4-methoxyphenyl)ethanone

2,2-diethoxy-1-(4-methoxyphenyl)ethanone (PubChem CID 10130946) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 2,2-diethoxy-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2,2-diethoxy-1-(4-methoxyphenyl)ethanone
PubChem CID10130946
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name2,2-diethoxy-1-(4-methoxyphenyl)ethanone
SMILESCCOC(OCC)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H18O4/c1-4-16-13(17-5-2)12(14)10-6-8-11(15-3)9-7-10/h6-9,13H,4-5H2,1-3H3
InChIKeyUBVAZGGQCFMFKW-UHFFFAOYSA-N
XLogP2.28
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-bis(4-methoxybenzoyl)-1,4-bis(4-methoxyphenyl)butane-1,4-dione
CID 3648673
1-(4-methoxyphenyl)-2-methylbutan-1-one
CID 12600283
ethyl (2R)-3-(4-methoxyphenyl)-2-methyl-3-oxopropanoate
CID 97035569
benzene;2,2-diethoxy-1-phenylethanone;hydrate
CID 174859350
2-bromo-1-(4-methoxyphenyl)butan-1-one
CID 3156988
2,2-difluoro-1-(4-methoxyphenyl)ethanone
CID 11593558
2-(aminomethyl)-1-(4-methoxyphenyl)butan-1-one
CID 116575155
2-ethyl-1-(4-methoxyphenyl)-3-phenylpropane-1,3-dione
CID 102585480
2-ethyl-1-(4-methoxyphenyl)pentan-1-one
CID 122369816
ethyl 4-(4-methoxyphenyl)-3-methyl-2,4-dioxobutanoate
CID 54803380
2-(2-ethylbutoxy)-1-(4-methoxyphenyl)propan-1-one
CID 114208468
sodium;2,2-dihydroxy-1-(4-methoxyphenyl)ethanone;hydride
CID 173420090

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2,2-diethoxy-1-(4-methoxyphenyl)ethanone (CID 10130946) is 2,2-diethoxy-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2,2-diethoxy-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2,2-diethoxy-1-(4-methoxyphenyl)ethanone is CCOC(OCC)C(=O)c1ccc(OC)cc1.
What is the InChIKey of 2,2-diethoxy-1-(4-methoxyphenyl)ethanone?
The InChIKey is UBVAZGGQCFMFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-4-16-13(17-5-2)12(14)10-6-8-11(15-3)9-7-10/h6-9,13H,4-5H2,1-3H3.
What are the key properties of 2,2-diethoxy-1-(4-methoxyphenyl)ethanone?
2,2-diethoxy-1-(4-methoxyphenyl)ethanone has a molecular weight of 238.28 g/mol, XLogP of 2.28, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 10130946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).