1-[4-(2,2-dimethoxyethoxy)-2-hydroxyphenyl]ethanone

C12H16O5 — CID 91620245

IUPAC1-[4-(2,2-dimethoxyethoxy)-2-hydroxyphenyl]ethanone
SMILESCOC(COc1ccc(C(C)=O)c(O)c1)OC
InChIInChI=1S/C12H16O5/c1-8(13)10-5-4-9(6-11(10)14)17-7-12(15-2)16-3/h4-6,12,14H,7H2,1-3H3
InChIKeyKSZYPUYISNJDKZ-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.59
Rot. Bonds6

About 1-[4-(2,2-dimethoxyethoxy)-2-hydroxyphenyl]ethanone

1-[4-(2,2-dimethoxyethoxy)-2-hydroxyphenyl]ethanone (PubChem CID 91620245) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is 1-[4-(2,2-dimethoxyethoxy)-2-hydroxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2,2-dimethoxyethoxy)-2-hydroxyphenyl]ethanone
PubChem CID91620245
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name1-[4-(2,2-dimethoxyethoxy)-2-hydroxyphenyl]ethanone
SMILESCOC(COc1ccc(C(C)=O)c(O)c1)OC
InChIInChI=1S/C12H16O5/c1-8(13)10-5-4-9(6-11(10)14)17-7-12(15-2)16-3/h4-6,12,14H,7H2,1-3H3
InChIKeyKSZYPUYISNJDKZ-UHFFFAOYSA-N
XLogP1.59
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 4-(2,2-dimethoxyethoxy)benzene-1,2-dicarboxylate
CID 155584738
1-[2-hydroxy-4-(2-methylprop-2-enoxy)phenyl]ethanone
CID 14523499
5-(4-acetyl-3-hydroxyphenoxy)pentanenitrile
CID 15747299
2-hydroxy-4-(2-methylpropoxy)benzoic acid
CID 154092894
1-[4-(3-chloroprop-2-ynoxy)-2-hydroxyphenyl]ethanone
CID 53441388
1-[4-[2-(diethylamino)ethoxy]-2-hydroxyphenyl]ethanone
CID 24383
2-(4-acetyl-3-hydroxyphenoxy)ethyl-diethylazanium chloride
CID 24382
methyl 4-(2,3-dihydroxypropoxy)-2-hydroxybenzoate
CID 44521947
4-(2,2-dimethoxyethoxy)-1,2-dimethylbenzene
CID 66223394
1-[2-methyl-4-(2-methylpropoxy)phenyl]ethanone
CID 20716286
4-(2,2-difluoroethoxy)-2-hydroxybenzoic acid
CID 10242483
[2-hydroxy-4-(2-methylpropoxy)phenyl]-[4-(2-methylpropoxy)phenyl]methanone
CID 141021495

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-dimethoxyethoxy)-2-hydroxyphenyl]ethanone?
The IUPAC name of 1-[4-(2,2-dimethoxyethoxy)-2-hydroxyphenyl]ethanone (CID 91620245) is 1-[4-(2,2-dimethoxyethoxy)-2-hydroxyphenyl]ethanone.
What is the SMILES notation for 1-[4-(2,2-dimethoxyethoxy)-2-hydroxyphenyl]ethanone?
The canonical SMILES for 1-[4-(2,2-dimethoxyethoxy)-2-hydroxyphenyl]ethanone is COC(COc1ccc(C(C)=O)c(O)c1)OC.
What is the InChIKey of 1-[4-(2,2-dimethoxyethoxy)-2-hydroxyphenyl]ethanone?
The InChIKey is KSZYPUYISNJDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O5/c1-8(13)10-5-4-9(6-11(10)14)17-7-12(15-2)16-3/h4-6,12,14H,7H2,1-3H3.
What are the key properties of 1-[4-(2,2-dimethoxyethoxy)-2-hydroxyphenyl]ethanone?
1-[4-(2,2-dimethoxyethoxy)-2-hydroxyphenyl]ethanone has a molecular weight of 240.25 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-dimethoxyethoxy)-2-hydroxyphenyl]ethanone is sourced from PubChem (CID 91620245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).