2-methoxy-1-methyl-3-prop-2-enylbenzene;propane

C14H22O — CID 143927425

IUPAC2-methoxy-1-methyl-3-prop-2-enylbenzene;propane
SMILESC=CCc1cccc(C)c1OC.CCC
InChIInChI=1S/C11H14O.C3H8/c1-4-6-10-8-5-7-9(2)11(10)12-3;1-3-2/h4-5,7-8H,1,6H2,2-3H3;3H2,1-2H3
InChIKeyUFJIAOLYRUIFIC-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.15
Rot. Bonds3

About 2-methoxy-1-methyl-3-prop-2-enylbenzene;propane

2-methoxy-1-methyl-3-prop-2-enylbenzene;propane (PubChem CID 143927425) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-methoxy-1-methyl-3-prop-2-enylbenzene;propane.

Molecular Properties

Compound Name2-methoxy-1-methyl-3-prop-2-enylbenzene;propane
PubChem CID143927425
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2-methoxy-1-methyl-3-prop-2-enylbenzene;propane
SMILESC=CCc1cccc(C)c1OC.CCC
InChIInChI=1S/C11H14O.C3H8/c1-4-6-10-8-5-7-9(2)11(10)12-3;1-3-2/h4-5,7-8H,1,6H2,2-3H3;3H2,1-2H3
InChIKeyUFJIAOLYRUIFIC-UHFFFAOYSA-N
XLogP4.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-methyl-3-prop-2-enylbenzene;propane?
The IUPAC name of 2-methoxy-1-methyl-3-prop-2-enylbenzene;propane (CID 143927425) is 2-methoxy-1-methyl-3-prop-2-enylbenzene;propane.
What is the SMILES notation for 2-methoxy-1-methyl-3-prop-2-enylbenzene;propane?
The canonical SMILES for 2-methoxy-1-methyl-3-prop-2-enylbenzene;propane is C=CCc1cccc(C)c1OC.CCC.
What is the InChIKey of 2-methoxy-1-methyl-3-prop-2-enylbenzene;propane?
The InChIKey is UFJIAOLYRUIFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O.C3H8/c1-4-6-10-8-5-7-9(2)11(10)12-3;1-3-2/h4-5,7-8H,1,6H2,2-3H3;3H2,1-2H3.
What are the key properties of 2-methoxy-1-methyl-3-prop-2-enylbenzene;propane?
2-methoxy-1-methyl-3-prop-2-enylbenzene;propane has a molecular weight of 206.33 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-methyl-3-prop-2-enylbenzene;propane is sourced from PubChem (CID 143927425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).