1,3-dimethoxy-5-methyl-2-prop-2-enylbenzene

C12H16O2 — CID 86017681

IUPAC1,3-dimethoxy-5-methyl-2-prop-2-enylbenzene
SMILESC=CCc1c(OC)cc(C)cc1OC
InChIInChI=1S/C12H16O2/c1-5-6-10-11(13-3)7-9(2)8-12(10)14-4/h5,7-8H,1,6H2,2-4H3
InChIKeyNCARSZBTOPSLIO-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.74
Rot. Bonds4

About 1,3-dimethoxy-5-methyl-2-prop-2-enylbenzene

1,3-dimethoxy-5-methyl-2-prop-2-enylbenzene (PubChem CID 86017681) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1,3-dimethoxy-5-methyl-2-prop-2-enylbenzene.

Molecular Properties

Compound Name1,3-dimethoxy-5-methyl-2-prop-2-enylbenzene
PubChem CID86017681
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1,3-dimethoxy-5-methyl-2-prop-2-enylbenzene
SMILESC=CCc1c(OC)cc(C)cc1OC
InChIInChI=1S/C12H16O2/c1-5-6-10-11(13-3)7-9(2)8-12(10)14-4/h5,7-8H,1,6H2,2-4H3
InChIKeyNCARSZBTOPSLIO-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(methoxymethoxy)-5-methyl-2-prop-2-enylbenzene
CID 86078751
1,2-dimethoxy-5-methyl-3-prop-2-enylbenzene
CID 101116168
1,5-dimethoxy-3-methyl-2-prop-2-enylbenzene
CID 55275341
1,3-dimethoxy-2-prop-2-enylbenzene
CID 3014232
2,4-dibromo-1,5-dimethoxy-3-prop-2-enylbenzene
CID 46910681
(E)-4-(2,6-dimethoxy-4-methylphenyl)-2-methylbut-2-en-1-ol
CID 10704975
(2,6-dimethoxy-4-methylphenyl)methanamine
CID 58024962
1-ethoxy-2-methoxy-5-methyl-3-prop-2-enylbenzene
CID 21129917
tert-butyl-(3,5-dimethoxy-2-prop-2-enylphenoxy)-dimethylsilane
CID 11449702
1-(chloromethyl)-4,5-dimethoxy-2-methyl-3-prop-2-enylbenzene
CID 102500877
2-(2,2-dimethylpropyl)-1,3-dimethoxy-5-methylbenzene
CID 59743812
2-ethyl-1-methoxy-3,5-dimethylbenzene;propane
CID 170973865

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-5-methyl-2-prop-2-enylbenzene?
The IUPAC name of 1,3-dimethoxy-5-methyl-2-prop-2-enylbenzene (CID 86017681) is 1,3-dimethoxy-5-methyl-2-prop-2-enylbenzene.
What is the SMILES notation for 1,3-dimethoxy-5-methyl-2-prop-2-enylbenzene?
The canonical SMILES for 1,3-dimethoxy-5-methyl-2-prop-2-enylbenzene is C=CCc1c(OC)cc(C)cc1OC.
What is the InChIKey of 1,3-dimethoxy-5-methyl-2-prop-2-enylbenzene?
The InChIKey is NCARSZBTOPSLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-5-6-10-11(13-3)7-9(2)8-12(10)14-4/h5,7-8H,1,6H2,2-4H3.
What are the key properties of 1,3-dimethoxy-5-methyl-2-prop-2-enylbenzene?
1,3-dimethoxy-5-methyl-2-prop-2-enylbenzene has a molecular weight of 192.26 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-5-methyl-2-prop-2-enylbenzene is sourced from PubChem (CID 86017681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).