1-(methoxymethoxy)-2-methyl-4-prop-1-en-2-ylbenzene

C12H16O2 — CID 18413679

IUPAC1-(methoxymethoxy)-2-methyl-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(OCOC)c(C)c1
InChIInChI=1S/C12H16O2/c1-9(2)11-5-6-12(10(3)7-11)14-8-13-4/h5-7H,1,8H2,2-4H3
InChIKeyWXEPTQLFHRYWSB-UHFFFAOYSA-N
MW192.26 g/mol
LogP3.01
Rot. Bonds4

About 1-(methoxymethoxy)-2-methyl-4-prop-1-en-2-ylbenzene

1-(methoxymethoxy)-2-methyl-4-prop-1-en-2-ylbenzene (PubChem CID 18413679) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(methoxymethoxy)-2-methyl-4-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-(methoxymethoxy)-2-methyl-4-prop-1-en-2-ylbenzene
PubChem CID18413679
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1-(methoxymethoxy)-2-methyl-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(OCOC)c(C)c1
InChIInChI=1S/C12H16O2/c1-9(2)11-5-6-12(10(3)7-11)14-8-13-4/h5-7H,1,8H2,2-4H3
InChIKeyWXEPTQLFHRYWSB-UHFFFAOYSA-N
XLogP3.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 53.01
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

1-[4-(2-hydroxy-3-methoxypropoxy)-3-methylphenyl]ethanone
CID 112568355
potassium trifluoro-[4-(methoxymethoxy)-3-methylphenyl]boranuide
CID 65364399
4-ethoxy-N-(2-ethoxy-5-prop-1-en-2-ylphenyl)-3-methylbenzamide;methyl formate
CID 144988653
3,4-bis(methoxymethoxy)benzoic acid
CID 10421835
3-[4-(C,N-dimethylcarbonimidoyl)-2-methylphenoxy]prop-1-en-2-ol
CID 143784100
4-(2-methoxyethoxy)-3-methylbenzoic acid
CID 58551370
formohydrazide;1-[3-methoxy-2-[(2-methyl-4-prop-1-en-2-ylphenoxy)methyl]phenyl]-1-methylhydrazine
CID 144784769
4-(3-methoxypropoxy)-3-methylbenzoic acid
CID 62703570
methane;4-[4-(methoxymethoxy)-3-methylphenyl]sulfonyl-1,2-dimethylbenzene
CID 159836116
4-(methoxymethoxy)-3-propan-2-ylbenzoic acid
CID 164892352
ethyl 3-(methoxymethoxy)-4-methylbenzoate;methane
CID 158776838
1-[4-(3-ethenoxypropoxy)-3-methylphenyl]ethanone;methane
CID 158045693

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethoxy)-2-methyl-4-prop-1-en-2-ylbenzene?
The IUPAC name of 1-(methoxymethoxy)-2-methyl-4-prop-1-en-2-ylbenzene (CID 18413679) is 1-(methoxymethoxy)-2-methyl-4-prop-1-en-2-ylbenzene.
What is the SMILES notation for 1-(methoxymethoxy)-2-methyl-4-prop-1-en-2-ylbenzene?
The canonical SMILES for 1-(methoxymethoxy)-2-methyl-4-prop-1-en-2-ylbenzene is C=C(C)c1ccc(OCOC)c(C)c1.
What is the InChIKey of 1-(methoxymethoxy)-2-methyl-4-prop-1-en-2-ylbenzene?
The InChIKey is WXEPTQLFHRYWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-9(2)11-5-6-12(10(3)7-11)14-8-13-4/h5-7H,1,8H2,2-4H3.
What are the key properties of 1-(methoxymethoxy)-2-methyl-4-prop-1-en-2-ylbenzene?
1-(methoxymethoxy)-2-methyl-4-prop-1-en-2-ylbenzene has a molecular weight of 192.26 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethoxy)-2-methyl-4-prop-1-en-2-ylbenzene is sourced from PubChem (CID 18413679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).