2-(methoxymethoxy)propylbenzene

C11H16O2 — CID 11367357

IUPAC2-(methoxymethoxy)propylbenzene
SMILESCOCOC(C)Cc1ccccc1
InChIInChI=1S/C11H16O2/c1-10(13-9-12-2)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKeyDXYOVYJVKDBERU-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.24
Rot. Bonds5

About 2-(methoxymethoxy)propylbenzene

2-(methoxymethoxy)propylbenzene (PubChem CID 11367357) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(methoxymethoxy)propylbenzene.

Molecular Properties

Compound Name2-(methoxymethoxy)propylbenzene
PubChem CID11367357
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-(methoxymethoxy)propylbenzene
SMILESCOCOC(C)Cc1ccccc1
InChIInChI=1S/C11H16O2/c1-10(13-9-12-2)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKeyDXYOVYJVKDBERU-UHFFFAOYSA-N
XLogP2.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-2-(methoxymethoxy)pent-4-enyl]benzene
CID 101457567
[(4R,6S)-6-(methoxymethoxy)hept-1-en-4-yl]oxymethylbenzene
CID 71496897
[(2S)-4-methoxy-2-methylbutyl]benzene
CID 70313401
[(2R)-2-(methoxymethyl)-3-methylbutyl]benzene
CID 58977165
benzyl N-[3-(methoxymethoxy)butyl]carbamate
CID 173199640
[(2R)-1-phenylpropan-2-yl]benzene
CID 11138041
2-phenyl-1-(1-phenylpropan-2-yloxy)propan-2-ol
CID 67382362
[(2S,3S)-3-methoxy-2-methylbutyl]benzene
CID 166437023
N-[(2S,3S,4S,5S)-3,4-dihydroxy-5-[[2-(methoxymethoxy)-3-methylpentanoyl]amino]-1,6-diphenylhexan-2-yl]-2-(methoxymethoxy)-3-methylpentanamide
CID 57324589
ethane;2-methylpropylbenzene
CID 162200929
ethane;1-phenylpropan-2-ylbenzene
CID 142097323
4-methoxy-3-methyl-1-phenylbutan-2-amine
CID 115625025

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethoxy)propylbenzene?
The IUPAC name of 2-(methoxymethoxy)propylbenzene (CID 11367357) is 2-(methoxymethoxy)propylbenzene.
What is the SMILES notation for 2-(methoxymethoxy)propylbenzene?
The canonical SMILES for 2-(methoxymethoxy)propylbenzene is COCOC(C)Cc1ccccc1.
What is the InChIKey of 2-(methoxymethoxy)propylbenzene?
The InChIKey is DXYOVYJVKDBERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-10(13-9-12-2)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 2-(methoxymethoxy)propylbenzene?
2-(methoxymethoxy)propylbenzene has a molecular weight of 180.25 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethoxy)propylbenzene is sourced from PubChem (CID 11367357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).