methoxymethylbenzene;methyl acetate

C11H16O3 — CID 54330728

IUPACmethoxymethylbenzene;methyl acetate
SMILESCOC(C)=O.COCc1ccccc1
InChIInChI=1S/C8H10O.C3H6O2/c1-9-7-8-5-3-2-4-6-8;1-3(4)5-2/h2-6H,7H2,1H3;1-2H3
InChIKeySYDNHKPKOVTJJR-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.01
Rot. Bonds2

About methoxymethylbenzene;methyl acetate

methoxymethylbenzene;methyl acetate (PubChem CID 54330728) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is methoxymethylbenzene;methyl acetate.

Molecular Properties

Compound Namemethoxymethylbenzene;methyl acetate
PubChem CID54330728
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Namemethoxymethylbenzene;methyl acetate
SMILESCOC(C)=O.COCc1ccccc1
InChIInChI=1S/C8H10O.C3H6O2/c1-9-7-8-5-3-2-4-6-8;1-3(4)5-2/h2-6H,7H2,1H3;1-2H3
InChIKeySYDNHKPKOVTJJR-UHFFFAOYSA-N
XLogP2.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 174277199
methoxymethylbenzene;vanadium
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methyl acetate;phenylmethanol
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formaldehyde;methoxymethylbenzene;tungsten
CID 173357343
1,3-diphenylpropan-2-one;ethane;methoxymethylbenzene
CID 159058422
1,3-diphenylpropan-2-one;ethane;methoxymethylbenzene
CID 167578330
lithium;hydride;methoxymethylbenzene
CID 174456658
hydroperoxymethane;methoxymethylbenzene;propane
CID 91284821
benzyl acetate
CID 8785
ethane;methoxymethylbenzene;propane
CID 144561349
benzylbenzene;ethane;methane;methoxymethane;methyl acetate
CID 158415812
methoxymethylbenzene;2-(methoxymethyl)benzoic acid
CID 175486457

Frequently Asked Questions

What is the IUPAC name of methoxymethylbenzene;methyl acetate?
The IUPAC name of methoxymethylbenzene;methyl acetate (CID 54330728) is methoxymethylbenzene;methyl acetate.
What is the SMILES notation for methoxymethylbenzene;methyl acetate?
The canonical SMILES for methoxymethylbenzene;methyl acetate is COC(C)=O.COCc1ccccc1.
What is the InChIKey of methoxymethylbenzene;methyl acetate?
The InChIKey is SYDNHKPKOVTJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C3H6O2/c1-9-7-8-5-3-2-4-6-8;1-3(4)5-2/h2-6H,7H2,1H3;1-2H3.
What are the key properties of methoxymethylbenzene;methyl acetate?
methoxymethylbenzene;methyl acetate has a molecular weight of 196.25 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethylbenzene;methyl acetate is sourced from PubChem (CID 54330728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).