1,2-dimethyl-4-(2-methylprop-1-enoxy)benzene

C12H16O — CID 88971342

IUPAC1,2-dimethyl-4-(2-methylprop-1-enoxy)benzene
SMILESCC(C)=COc1ccc(C)c(C)c1
InChIInChI=1S/C12H16O/c1-9(2)8-13-12-6-5-10(3)11(4)7-12/h5-8H,1-4H3
InChIKeyJIXQCMKILAIEIB-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.61
Rot. Bonds2

About 1,2-dimethyl-4-(2-methylprop-1-enoxy)benzene

1,2-dimethyl-4-(2-methylprop-1-enoxy)benzene (PubChem CID 88971342) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 1,2-dimethyl-4-(2-methylprop-1-enoxy)benzene.

Molecular Properties

Compound Name1,2-dimethyl-4-(2-methylprop-1-enoxy)benzene
PubChem CID88971342
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name1,2-dimethyl-4-(2-methylprop-1-enoxy)benzene
SMILESCC(C)=COc1ccc(C)c(C)c1
InChIInChI=1S/C12H16O/c1-9(2)8-13-12-6-5-10(3)11(4)7-12/h5-8H,1-4H3
InChIKeyJIXQCMKILAIEIB-UHFFFAOYSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dimethylphenoxy)-2-methylprop-2-enoic acid
CID 67542435
4-[(1E,3Z)-3,4-dimethylhexa-1,3,5-trienoxy]-1,2-dimethylbenzene
CID 170928678
4-[(E)-1,2-dichloroethenoxy]-1,2-dimethylbenzene
CID 14317674
phenyl (E)-3-(3,4-dimethylphenoxy)-2-methyl-N-phenylprop-2-enimidothioate
CID 67542945
CID 59952153
CID 59952153
1,2-dimethyl-4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxybenzene
CID 143190699
4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene
CID 2195047
ethene;4-methoxy-1,2-dimethylbenzene
CID 145003805
ethane;4-methoxy-1,2-dimethylbenzene;5-methoxy-1,2,3-trimethylbenzene
CID 171649028
2-(3,4-dimethylphenoxy)cyclobutan-1-ol
CID 164664143
1,2-dimethyl-4-(1,2,2-trifluoroethenoxy)benzene
CID 18956451
formaldehyde;4-methoxy-1,2-dimethylbenzene
CID 157089381

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-(2-methylprop-1-enoxy)benzene?
The IUPAC name of 1,2-dimethyl-4-(2-methylprop-1-enoxy)benzene (CID 88971342) is 1,2-dimethyl-4-(2-methylprop-1-enoxy)benzene.
What is the SMILES notation for 1,2-dimethyl-4-(2-methylprop-1-enoxy)benzene?
The canonical SMILES for 1,2-dimethyl-4-(2-methylprop-1-enoxy)benzene is CC(C)=COc1ccc(C)c(C)c1.
What is the InChIKey of 1,2-dimethyl-4-(2-methylprop-1-enoxy)benzene?
The InChIKey is JIXQCMKILAIEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-9(2)8-13-12-6-5-10(3)11(4)7-12/h5-8H,1-4H3.
What are the key properties of 1,2-dimethyl-4-(2-methylprop-1-enoxy)benzene?
1,2-dimethyl-4-(2-methylprop-1-enoxy)benzene has a molecular weight of 176.26 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-(2-methylprop-1-enoxy)benzene is sourced from PubChem (CID 88971342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).