[methoxy(2-methoxyethoxy)methyl]benzene

C11H16O3 — CID 139725330

IUPAC[methoxy(2-methoxyethoxy)methyl]benzene
SMILESCOCCOC(OC)c1ccccc1
InChIInChI=1S/C11H16O3/c1-12-8-9-14-11(13-2)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3
InChIKeyOOJXMFYIOYQUNM-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.99
Rot. Bonds6

About [methoxy(2-methoxyethoxy)methyl]benzene

[methoxy(2-methoxyethoxy)methyl]benzene (PubChem CID 139725330) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is [methoxy(2-methoxyethoxy)methyl]benzene.

Molecular Properties

Compound Name[methoxy(2-methoxyethoxy)methyl]benzene
PubChem CID139725330
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name[methoxy(2-methoxyethoxy)methyl]benzene
SMILESCOCCOC(OC)c1ccccc1
InChIInChI=1S/C11H16O3/c1-12-8-9-14-11(13-2)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3
InChIKeyOOJXMFYIOYQUNM-UHFFFAOYSA-N
XLogP1.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[hydroperoxy(2-methoxyethoxy)methyl]benzene
CID 10512152
[(1R)-1-bromo-3-methoxypropyl]benzene
CID 129389905
[methoxy(prop-2-ynoxy)methyl]benzene
CID 150071968
(2R)-2-(2-methoxyethoxy)-2-phenylacetonitrile
CID 174633888
3-[methoxy(phenyl)methoxy]propane-1,2-diamine
CID 70238374
[disulfanyl(2-methoxyethoxy)methyl]benzene
CID 169266933
1-(2-methoxyethoxy)pentylbenzene
CID 10977044
[ethoxy(2-ethoxyethoxy)methyl]benzene
CID 139725273
benzene;[(1R)-1,2-dimethoxyethyl]benzene
CID 178156280
(1,6-dimethoxy-4-phenylhexan-3-yl)benzene
CID 12709498
(1-bromo-6-methoxyhexyl)benzene
CID 64508790
N-[2-(2-methoxyethoxy)-2-phenylethyl]-2-methylpropan-1-amine
CID 62456729

Frequently Asked Questions

What is the IUPAC name of [methoxy(2-methoxyethoxy)methyl]benzene?
The IUPAC name of [methoxy(2-methoxyethoxy)methyl]benzene (CID 139725330) is [methoxy(2-methoxyethoxy)methyl]benzene.
What is the SMILES notation for [methoxy(2-methoxyethoxy)methyl]benzene?
The canonical SMILES for [methoxy(2-methoxyethoxy)methyl]benzene is COCCOC(OC)c1ccccc1.
What is the InChIKey of [methoxy(2-methoxyethoxy)methyl]benzene?
The InChIKey is OOJXMFYIOYQUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-12-8-9-14-11(13-2)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3.
What are the key properties of [methoxy(2-methoxyethoxy)methyl]benzene?
[methoxy(2-methoxyethoxy)methyl]benzene has a molecular weight of 196.25 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methoxy(2-methoxyethoxy)methyl]benzene is sourced from PubChem (CID 139725330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).