1-[4-(1,2-dimethoxyethyl)phenyl]propan-2-one

C13H18O3 — CID 117318122

IUPAC1-[4-(1,2-dimethoxyethyl)phenyl]propan-2-one
SMILESCOCC(OC)c1ccc(CC(C)=O)cc1
InChIInChI=1S/C13H18O3/c1-10(14)8-11-4-6-12(7-5-11)13(16-3)9-15-2/h4-7,13H,8-9H2,1-3H3
InChIKeyZMCATUXRBXWQRO-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.15
Rot. Bonds6

About 1-[4-(1,2-dimethoxyethyl)phenyl]propan-2-one

1-[4-(1,2-dimethoxyethyl)phenyl]propan-2-one (PubChem CID 117318122) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 1-[4-(1,2-dimethoxyethyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-(1,2-dimethoxyethyl)phenyl]propan-2-one
PubChem CID117318122
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name1-[4-(1,2-dimethoxyethyl)phenyl]propan-2-one
SMILESCOCC(OC)c1ccc(CC(C)=O)cc1
InChIInChI=1S/C13H18O3/c1-10(14)8-11-4-6-12(7-5-11)13(16-3)9-15-2/h4-7,13H,8-9H2,1-3H3
InChIKeyZMCATUXRBXWQRO-UHFFFAOYSA-N
XLogP2.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1,2-dimethoxyethyl)phenyl]propan-2-ol
CID 117322250
(1R)-1-[4-[(1S)-1,2-dimethoxyethyl]phenyl]ethanol
CID 124500385
1-[4-(1,2-dimethoxyethyl)phenyl]ethanol
CID 102543604
benzene;[(1R)-1,2-dimethoxyethyl]benzene
CID 178156280
1-(4-hydroxyphenyl)propan-2-one
CID 7019274
1-[4-(1,3-difluoropropan-2-yl)phenyl]propan-2-one
CID 83885755
(1R)-2-amino-1-[4-[(1R)-1,2-dimethoxyethyl]phenyl]ethanol
CID 124500392
1-[4-(1,2-dimethoxyethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117446147
1-[4-(ethoxymethyl)phenyl]propan-2-one
CID 83878087
[(1R)-2-methoxy-1-phenylethyl] acetate
CID 101055201
N-(1-methoxypropan-2-yl)-2-[4-(2-oxopropyl)phenoxy]acetamide
CID 115495334
ethane;3-methyl-1-[4-(2-oxopropyl)phenyl]butan-2-one
CID 162736960

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,2-dimethoxyethyl)phenyl]propan-2-one?
The IUPAC name of 1-[4-(1,2-dimethoxyethyl)phenyl]propan-2-one (CID 117318122) is 1-[4-(1,2-dimethoxyethyl)phenyl]propan-2-one.
What is the SMILES notation for 1-[4-(1,2-dimethoxyethyl)phenyl]propan-2-one?
The canonical SMILES for 1-[4-(1,2-dimethoxyethyl)phenyl]propan-2-one is COCC(OC)c1ccc(CC(C)=O)cc1.
What is the InChIKey of 1-[4-(1,2-dimethoxyethyl)phenyl]propan-2-one?
The InChIKey is ZMCATUXRBXWQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-10(14)8-11-4-6-12(7-5-11)13(16-3)9-15-2/h4-7,13H,8-9H2,1-3H3.
What are the key properties of 1-[4-(1,2-dimethoxyethyl)phenyl]propan-2-one?
1-[4-(1,2-dimethoxyethyl)phenyl]propan-2-one has a molecular weight of 222.28 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,2-dimethoxyethyl)phenyl]propan-2-one is sourced from PubChem (CID 117318122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).