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

C12H16O — CID 19047064

IUPAC1,4-dimethyl-2-(2-methylprop-2-enoxy)benzene
SMILESC=C(C)COc1cc(C)ccc1C
InChIInChI=1S/C12H16O/c1-9(2)8-13-12-7-10(3)5-6-11(12)4/h5-7H,1,8H2,2-4H3
InChIKeyYHBMWFATFXUDTL-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.26
Rot. Bonds3

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

1,4-dimethyl-2-(2-methylprop-2-enoxy)benzene (PubChem CID 19047064) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 1,4-dimethyl-2-(2-methylprop-2-enoxy)benzene.

Molecular Properties

Compound Name1,4-dimethyl-2-(2-methylprop-2-enoxy)benzene
PubChem CID19047064
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name1,4-dimethyl-2-(2-methylprop-2-enoxy)benzene
SMILESC=C(C)COc1cc(C)ccc1C
InChIInChI=1S/C12H16O/c1-9(2)8-13-12-7-10(3)5-6-11(12)4/h5-7H,1,8H2,2-4H3
InChIKeyYHBMWFATFXUDTL-UHFFFAOYSA-N
XLogP3.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.26
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

[5-methyl-2-(2-methylprop-2-enoxy)phenyl]methanol
CID 63325367
1-methyl-2-(2-methylprop-2-enoxy)benzene
CID 4157656
methyl 2-(2,5-dimethylphenoxy)acetate
CID 729953
2-(2,5-dimethylphenoxy)-N,N-diethylacetamide
CID 920931
(2,5-dimethylphenoxy)methanol;ethane
CID 143103425
1-[5-methyl-2-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 60889792
2-(2,5-dimethylphenoxy)-1-(2,4-dimethylphenyl)ethanone
CID 43412276
(2,5-dimethylphenoxy)methanamine
CID 89376053
2-[3-(2,5-dimethylphenoxy)propyl]guanidine
CID 95444582
N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide
CID 166414788
4-(2,5-dimethylphenoxy)-3-oxobutanenitrile
CID 82076707
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide
CID 47102429

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-(2-methylprop-2-enoxy)benzene?
The IUPAC name of 1,4-dimethyl-2-(2-methylprop-2-enoxy)benzene (CID 19047064) is 1,4-dimethyl-2-(2-methylprop-2-enoxy)benzene.
What is the SMILES notation for 1,4-dimethyl-2-(2-methylprop-2-enoxy)benzene?
The canonical SMILES for 1,4-dimethyl-2-(2-methylprop-2-enoxy)benzene is C=C(C)COc1cc(C)ccc1C.
What is the InChIKey of 1,4-dimethyl-2-(2-methylprop-2-enoxy)benzene?
The InChIKey is YHBMWFATFXUDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-9(2)8-13-12-7-10(3)5-6-11(12)4/h5-7H,1,8H2,2-4H3.
What are the key properties of 1,4-dimethyl-2-(2-methylprop-2-enoxy)benzene?
1,4-dimethyl-2-(2-methylprop-2-enoxy)benzene has a molecular weight of 176.26 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-(2-methylprop-2-enoxy)benzene is sourced from PubChem (CID 19047064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).