methoxymethyl acetate;1-phenylethanone

C12H16O4 — CID 91080565

IUPACmethoxymethyl acetate;1-phenylethanone
SMILESCC(=O)c1ccccc1.COCOC(C)=O
InChIInChI=1S/C8H8O.C4H8O3/c1-7(9)8-5-3-2-4-6-8;1-4(5)7-3-6-2/h2-6H,1H3;3H2,1-2H3
InChIKeyPPDVZZFNXDEYOZ-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.04
Rot. Bonds3

About methoxymethyl acetate;1-phenylethanone

methoxymethyl acetate;1-phenylethanone (PubChem CID 91080565) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is methoxymethyl acetate;1-phenylethanone.

Molecular Properties

Compound Namemethoxymethyl acetate;1-phenylethanone
PubChem CID91080565
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Namemethoxymethyl acetate;1-phenylethanone
SMILESCC(=O)c1ccccc1.COCOC(C)=O
InChIInChI=1S/C8H8O.C4H8O3/c1-7(9)8-5-3-2-4-6-8;1-4(5)7-3-6-2/h2-6H,1H3;3H2,1-2H3
InChIKeyPPDVZZFNXDEYOZ-UHFFFAOYSA-N
XLogP2.04
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.04
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

1-[4-(methoxymethoxy)phenyl]ethanone;1-phenylethanone
CID 54405970
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
iron;1-phenylethanone
CID 70488357
lithium 1-phenylethanone
CID 22269591
potassium 1-phenylethanone
CID 19980201
acetic acid;1-phenylethanone
CID 159392478
(2-methyl-1-oxo-1-phenylpropan-2-yl)oxymethyl acetate
CID 20547340
CID 22025249
CID 22025249
1-phenylethanone;hydrate;hydrochloride
CID 21258111
CID 173404741
CID 173404741
ethane;1-phenylethanone;propan-2-one
CID 91456675
1-phenylethanone;phenylmethanamine
CID 174700909

Frequently Asked Questions

What is the IUPAC name of methoxymethyl acetate;1-phenylethanone?
The IUPAC name of methoxymethyl acetate;1-phenylethanone (CID 91080565) is methoxymethyl acetate;1-phenylethanone.
What is the SMILES notation for methoxymethyl acetate;1-phenylethanone?
The canonical SMILES for methoxymethyl acetate;1-phenylethanone is CC(=O)c1ccccc1.COCOC(C)=O.
What is the InChIKey of methoxymethyl acetate;1-phenylethanone?
The InChIKey is PPDVZZFNXDEYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O.C4H8O3/c1-7(9)8-5-3-2-4-6-8;1-4(5)7-3-6-2/h2-6H,1H3;3H2,1-2H3.
What are the key properties of methoxymethyl acetate;1-phenylethanone?
methoxymethyl acetate;1-phenylethanone has a molecular weight of 224.26 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethyl acetate;1-phenylethanone is sourced from PubChem (CID 91080565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).