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

C12H16O2 — CID 101116168

IUPAC1,2-dimethoxy-5-methyl-3-prop-2-enylbenzene
SMILESC=CCc1cc(C)cc(OC)c1OC
InChIInChI=1S/C12H16O2/c1-5-6-10-7-9(2)8-11(13-3)12(10)14-4/h5,7-8H,1,6H2,2-4H3
InChIKeyLKZCHBMCUBVDSM-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.74
Rot. Bonds4

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

1,2-dimethoxy-5-methyl-3-prop-2-enylbenzene (PubChem CID 101116168) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1,2-dimethoxy-5-methyl-3-prop-2-enylbenzene.

Molecular Properties

Compound Name1,2-dimethoxy-5-methyl-3-prop-2-enylbenzene
PubChem CID101116168
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1,2-dimethoxy-5-methyl-3-prop-2-enylbenzene
SMILESC=CCc1cc(C)cc(OC)c1OC
InChIInChI=1S/C12H16O2/c1-5-6-10-7-9(2)8-11(13-3)12(10)14-4/h5,7-8H,1,6H2,2-4H3
InChIKeyLKZCHBMCUBVDSM-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-ethoxy-2-methoxy-5-methyl-3-prop-2-enylbenzene
CID 21129917
1,3-dimethoxy-5-methyl-2-prop-2-enylbenzene
CID 86017681
(3,4-dimethoxy-5-prop-2-enylphenyl)methanamine
CID 47002652
(3,4-dimethoxy-5-prop-2-enylphenyl)methanamine;hydrochloride
CID 47002651
2,3,4-trimethoxy-6-prop-2-enylphenol
CID 44719618
(E)-3-(3,4-dimethoxy-5-prop-2-enylphenyl)prop-2-en-1-ol
CID 44610392
N-[(2,3-dimethoxy-5-methylphenyl)methyl]hydroxylamine
CID 117287016
1-(chloromethyl)-4,5-dimethoxy-2-methyl-3-prop-2-enylbenzene
CID 102500877
N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-3-methylaniline
CID 126122280
1-methoxy-4-(4-methoxy-3-prop-2-enylphenoxy)-2-prop-2-enylbenzene
CID 144777892
3,4-dimethoxy-N-(3-methylbutan-2-yl)-5-prop-2-enylbenzamide
CID 43035063
diethyl 2-[(3,4-dimethoxy-5-prop-2-enylphenyl)methylidene]propanedioate
CID 19937041

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-5-methyl-3-prop-2-enylbenzene?
The IUPAC name of 1,2-dimethoxy-5-methyl-3-prop-2-enylbenzene (CID 101116168) is 1,2-dimethoxy-5-methyl-3-prop-2-enylbenzene.
What is the SMILES notation for 1,2-dimethoxy-5-methyl-3-prop-2-enylbenzene?
The canonical SMILES for 1,2-dimethoxy-5-methyl-3-prop-2-enylbenzene is C=CCc1cc(C)cc(OC)c1OC.
What is the InChIKey of 1,2-dimethoxy-5-methyl-3-prop-2-enylbenzene?
The InChIKey is LKZCHBMCUBVDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-5-6-10-7-9(2)8-11(13-3)12(10)14-4/h5,7-8H,1,6H2,2-4H3.
What are the key properties of 1,2-dimethoxy-5-methyl-3-prop-2-enylbenzene?
1,2-dimethoxy-5-methyl-3-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 1,2-dimethoxy-5-methyl-3-prop-2-enylbenzene is sourced from PubChem (CID 101116168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).