1-[4-methoxy-3-(methoxymethyl)phenyl]ethanone

C11H14O3 — CID 2525930

IUPAC1-[4-methoxy-3-(methoxymethyl)phenyl]ethanone
SMILESCOCc1cc(C(C)=O)ccc1OC
InChIInChI=1S/C11H14O3/c1-8(12)9-4-5-11(14-3)10(6-9)7-13-2/h4-6H,7H2,1-3H3
InChIKeyJAXXEGLPTVXHSQ-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.04
Rot. Bonds4

About 1-[4-methoxy-3-(methoxymethyl)phenyl]ethanone

1-[4-methoxy-3-(methoxymethyl)phenyl]ethanone (PubChem CID 2525930) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-[4-methoxy-3-(methoxymethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-methoxy-3-(methoxymethyl)phenyl]ethanone
PubChem CID2525930
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name1-[4-methoxy-3-(methoxymethyl)phenyl]ethanone
SMILESCOCc1cc(C(C)=O)ccc1OC
InChIInChI=1S/C11H14O3/c1-8(12)9-4-5-11(14-3)10(6-9)7-13-2/h4-6H,7H2,1-3H3
InChIKeyJAXXEGLPTVXHSQ-UHFFFAOYSA-N
XLogP2.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(methoxymethyl)phenyl]ethanone?
The IUPAC name of 1-[4-methoxy-3-(methoxymethyl)phenyl]ethanone (CID 2525930) is 1-[4-methoxy-3-(methoxymethyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-methoxy-3-(methoxymethyl)phenyl]ethanone?
The canonical SMILES for 1-[4-methoxy-3-(methoxymethyl)phenyl]ethanone is COCc1cc(C(C)=O)ccc1OC.
What is the InChIKey of 1-[4-methoxy-3-(methoxymethyl)phenyl]ethanone?
The InChIKey is JAXXEGLPTVXHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-8(12)9-4-5-11(14-3)10(6-9)7-13-2/h4-6H,7H2,1-3H3.
What are the key properties of 1-[4-methoxy-3-(methoxymethyl)phenyl]ethanone?
1-[4-methoxy-3-(methoxymethyl)phenyl]ethanone has a molecular weight of 194.23 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(methoxymethyl)phenyl]ethanone is sourced from PubChem (CID 2525930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).