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

C12H16O2 — CID 55275341

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

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

1,5-dimethoxy-3-methyl-2-prop-2-enylbenzene (PubChem CID 55275341) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1,5-dimethoxy-3-methyl-2-prop-2-enylbenzene.

Molecular Properties

Compound Name1,5-dimethoxy-3-methyl-2-prop-2-enylbenzene
PubChem CID55275341
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1,5-dimethoxy-3-methyl-2-prop-2-enylbenzene
SMILESC=CCc1c(C)cc(OC)cc1OC
InChIInChI=1S/C12H16O2/c1-5-6-11-9(2)7-10(13-3)8-12(11)14-4/h5,7-8H,1,6H2,2-4H3
InChIKeyKELZLWWBMAVOLU-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-dimethoxy-5-methyl-2-prop-2-enylbenzene
CID 86017681
1,5-dimethoxy-2-(methoxymethyl)-3-methylbenzene
CID 116932273
tert-butyl-(3,5-dimethoxy-2-prop-2-enylphenoxy)-dimethylsilane
CID 11449702
2-(2,4-dimethoxy-6-methylphenyl)acetonitrile
CID 42638625
2,4-dibromo-1,5-dimethoxy-3-prop-2-enylbenzene
CID 46910681
5-methoxy-1,3-dimethyl-2-pent-4-en-2-ylbenzene
CID 83940128
1,3-dimethoxy-2-prop-2-enylbenzene
CID 3014232
5-(2,4-dimethoxy-6-methylphenyl)pentan-2-one
CID 116927802
(4-methoxy-2,6-dimethylphenyl)methanamine
CID 82266532
2-(iodomethyl)-1,3,5-trimethoxybenzene
CID 10946751
2-N-(2,4-dimethoxy-6-methylphenyl)-2-N,3-dimethylbutane-1,2-diamine
CID 115138077
4-(2,4-dimethoxy-6-methylphenyl)-3,3-dimethylbutan-1-amine
CID 116925176

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethoxy-3-methyl-2-prop-2-enylbenzene?
The IUPAC name of 1,5-dimethoxy-3-methyl-2-prop-2-enylbenzene (CID 55275341) is 1,5-dimethoxy-3-methyl-2-prop-2-enylbenzene.
What is the SMILES notation for 1,5-dimethoxy-3-methyl-2-prop-2-enylbenzene?
The canonical SMILES for 1,5-dimethoxy-3-methyl-2-prop-2-enylbenzene is C=CCc1c(C)cc(OC)cc1OC.
What is the InChIKey of 1,5-dimethoxy-3-methyl-2-prop-2-enylbenzene?
The InChIKey is KELZLWWBMAVOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-5-6-11-9(2)7-10(13-3)8-12(11)14-4/h5,7-8H,1,6H2,2-4H3.
What are the key properties of 1,5-dimethoxy-3-methyl-2-prop-2-enylbenzene?
1,5-dimethoxy-3-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 1,5-dimethoxy-3-methyl-2-prop-2-enylbenzene is sourced from PubChem (CID 55275341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).