1-methyl-2-(2-methylprop-2-enoxy)benzene

C11H14O — CID 4157656

IUPAC1-methyl-2-(2-methylprop-2-enoxy)benzene
SMILESC=C(C)COc1ccccc1C
InChIInChI=1S/C11H14O/c1-9(2)8-12-11-7-5-4-6-10(11)3/h4-7H,1,8H2,2-3H3
InChIKeyFDZKQPOWASAWRS-UHFFFAOYSA-N
MW162.23 g/mol
LogP2.95
Rot. Bonds3

About 1-methyl-2-(2-methylprop-2-enoxy)benzene

1-methyl-2-(2-methylprop-2-enoxy)benzene (PubChem CID 4157656) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 1-methyl-2-(2-methylprop-2-enoxy)benzene.

Molecular Properties

Compound Name1-methyl-2-(2-methylprop-2-enoxy)benzene
PubChem CID4157656
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name1-methyl-2-(2-methylprop-2-enoxy)benzene
SMILESC=C(C)COc1ccccc1C
InChIInChI=1S/C11H14O/c1-9(2)8-12-11-7-5-4-6-10(11)3/h4-7H,1,8H2,2-3H3
InChIKeyFDZKQPOWASAWRS-UHFFFAOYSA-N
XLogP2.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,2-bis(2-methylprop-2-enoxy)benzene
CID 10878622
2-fluoro-1-methyl-3-(2-methylprop-2-enoxy)benzene
CID 103988421
1,4-dimethyl-2-(2-methylprop-2-enoxy)benzene
CID 19047064
1-ethynyl-2-(2-methylprop-2-enoxy)benzene
CID 11789677
2-[[2-(2-methylprop-2-enoxy)phenoxy]methyl]oxirane
CID 13171806
(Z)-1-(2-methylphenoxy)but-2-en-2-amine
CID 167112053
sodium 2-(2-methylphenoxy)acetate
CID 23664336
lithium 2-(2-methylphenoxy)acetate
CID 19205696
2-[2-(2-methylprop-2-enoxy)phenyl]propan-2-amine
CID 117294143
N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine
CID 54849925
ethyl 2-[2-(2-methylprop-2-enoxy)phenyl]-2-oxoacetate
CID 117373306
ethene;(2-methylphenoxy)methanamine
CID 174405951

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methylprop-2-enoxy)benzene?
The IUPAC name of 1-methyl-2-(2-methylprop-2-enoxy)benzene (CID 4157656) is 1-methyl-2-(2-methylprop-2-enoxy)benzene.
What is the SMILES notation for 1-methyl-2-(2-methylprop-2-enoxy)benzene?
The canonical SMILES for 1-methyl-2-(2-methylprop-2-enoxy)benzene is C=C(C)COc1ccccc1C.
What is the InChIKey of 1-methyl-2-(2-methylprop-2-enoxy)benzene?
The InChIKey is FDZKQPOWASAWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-9(2)8-12-11-7-5-4-6-10(11)3/h4-7H,1,8H2,2-3H3.
What are the key properties of 1-methyl-2-(2-methylprop-2-enoxy)benzene?
1-methyl-2-(2-methylprop-2-enoxy)benzene has a molecular weight of 162.23 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methylprop-2-enoxy)benzene is sourced from PubChem (CID 4157656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).