1,2-dimethoxy-4-prop-2-enylbenzene;ethane

C13H20O2 — CID 143927430

IUPAC1,2-dimethoxy-4-prop-2-enylbenzene;ethane
SMILESC=CCc1ccc(OC)c(OC)c1.CC
InChIInChI=1S/C11H14O2.C2H6/c1-4-5-9-6-7-10(12-2)11(8-9)13-3;1-2/h4,6-8H,1,5H2,2-3H3;1-2H3
InChIKeyODCYKZRRNIWMLI-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.46
Rot. Bonds4

About 1,2-dimethoxy-4-prop-2-enylbenzene;ethane

1,2-dimethoxy-4-prop-2-enylbenzene;ethane (PubChem CID 143927430) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1,2-dimethoxy-4-prop-2-enylbenzene;ethane.

Molecular Properties

Compound Name1,2-dimethoxy-4-prop-2-enylbenzene;ethane
PubChem CID143927430
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1,2-dimethoxy-4-prop-2-enylbenzene;ethane
SMILESC=CCc1ccc(OC)c(OC)c1.CC
InChIInChI=1S/C11H14O2.C2H6/c1-4-5-9-6-7-10(12-2)11(8-9)13-3;1-2/h4,6-8H,1,5H2,2-3H3;1-2H3
InChIKeyODCYKZRRNIWMLI-UHFFFAOYSA-N
XLogP3.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.46
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

(2-methoxy-4-prop-2-enylphenoxy)phosphane
CID 155424724
ethane;2-methoxy-1-methyl-4-prop-2-enylbenzene
CID 142811862
(2-methoxy-4-prop-2-enylphenyl) formate
CID 24835
2-methoxy-1-propan-2-yloxy-4-prop-2-enylbenzene
CID 57350376
2-methoxy-1-[6-(2-methoxy-4-prop-2-enylphenoxy)hexoxy]-4-prop-2-enylbenzene
CID 19906474
iron;(2-methoxy-4-prop-2-enylphenyl) formate
CID 174941140
1,2-dimethoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-5-prop-2-enylbenzene
CID 122178034
2-(2-methoxy-4-prop-2-enylphenoxy)ethene-1,1-diol
CID 146301981
1-butoxy-2-methoxy-4-prop-2-enylbenzene
CID 3019586
1-bromo-2-methoxy-4-prop-2-enylbenzene
CID 70188146
1-deuteriooxy-2-methoxy-4-prop-2-enylbenzene
CID 123654669
2-methoxy-1-pentoxy-4-prop-2-enylbenzene
CID 3024287

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-4-prop-2-enylbenzene;ethane?
The IUPAC name of 1,2-dimethoxy-4-prop-2-enylbenzene;ethane (CID 143927430) is 1,2-dimethoxy-4-prop-2-enylbenzene;ethane.
What is the SMILES notation for 1,2-dimethoxy-4-prop-2-enylbenzene;ethane?
The canonical SMILES for 1,2-dimethoxy-4-prop-2-enylbenzene;ethane is C=CCc1ccc(OC)c(OC)c1.CC.
What is the InChIKey of 1,2-dimethoxy-4-prop-2-enylbenzene;ethane?
The InChIKey is ODCYKZRRNIWMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2.C2H6/c1-4-5-9-6-7-10(12-2)11(8-9)13-3;1-2/h4,6-8H,1,5H2,2-3H3;1-2H3.
What are the key properties of 1,2-dimethoxy-4-prop-2-enylbenzene;ethane?
1,2-dimethoxy-4-prop-2-enylbenzene;ethane has a molecular weight of 208.30 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-4-prop-2-enylbenzene;ethane is sourced from PubChem (CID 143927430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).