ethane;2-methoxy-1-methyl-4-prop-2-enylbenzene

C13H20O — CID 142811862

IUPACethane;2-methoxy-1-methyl-4-prop-2-enylbenzene
SMILESC=CCc1ccc(C)c(OC)c1.CC
InChIInChI=1S/C11H14O.C2H6/c1-4-5-10-7-6-9(2)11(8-10)12-3;1-2/h4,6-8H,1,5H2,2-3H3;1-2H3
InChIKeyIZVJFWKZVURQNN-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.76
Rot. Bonds3

About ethane;2-methoxy-1-methyl-4-prop-2-enylbenzene

ethane;2-methoxy-1-methyl-4-prop-2-enylbenzene (PubChem CID 142811862) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is ethane;2-methoxy-1-methyl-4-prop-2-enylbenzene.

Molecular Properties

Compound Nameethane;2-methoxy-1-methyl-4-prop-2-enylbenzene
PubChem CID142811862
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Nameethane;2-methoxy-1-methyl-4-prop-2-enylbenzene
SMILESC=CCc1ccc(C)c(OC)c1.CC
InChIInChI=1S/C11H14O.C2H6/c1-4-5-10-7-6-9(2)11(8-10)12-3;1-2/h4,6-8H,1,5H2,2-3H3;1-2H3
InChIKeyIZVJFWKZVURQNN-UHFFFAOYSA-N
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;2-methoxy-1-methyl-4-prop-2-enylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-dimethoxy-4-prop-2-enylbenzene;ethane
CID 143927430
1-(2,5-dimethylphenoxy)-2-methoxy-4-prop-2-enylbenzene
CID 67892589
1-bromo-2-methoxy-4-prop-2-enylbenzene
CID 70188146
2-methoxy-4-prop-2-enylphenol;hydroiodide
CID 172782314
CID 69284850
CID 69284850
(2-methoxy-4-prop-2-enylphenoxy)phosphane
CID 155424724
2-methoxy-6-methyl-4-prop-2-enylphenol;2-methoxy-4-prop-2-enylphenol
CID 158780722
buta-1,3-diene;bis(2-methoxy-4-prop-2-enylphenol)
CID 175132786
1-deuteriooxy-2-methoxy-4-prop-2-enylbenzene
CID 123654669
(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

Frequently Asked Questions

What is the IUPAC name of ethane;2-methoxy-1-methyl-4-prop-2-enylbenzene?
The IUPAC name of ethane;2-methoxy-1-methyl-4-prop-2-enylbenzene (CID 142811862) is ethane;2-methoxy-1-methyl-4-prop-2-enylbenzene.
What is the SMILES notation for ethane;2-methoxy-1-methyl-4-prop-2-enylbenzene?
The canonical SMILES for ethane;2-methoxy-1-methyl-4-prop-2-enylbenzene is C=CCc1ccc(C)c(OC)c1.CC.
What is the InChIKey of ethane;2-methoxy-1-methyl-4-prop-2-enylbenzene?
The InChIKey is IZVJFWKZVURQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O.C2H6/c1-4-5-10-7-6-9(2)11(8-10)12-3;1-2/h4,6-8H,1,5H2,2-3H3;1-2H3.
What are the key properties of ethane;2-methoxy-1-methyl-4-prop-2-enylbenzene?
ethane;2-methoxy-1-methyl-4-prop-2-enylbenzene has a molecular weight of 192.30 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methoxy-1-methyl-4-prop-2-enylbenzene is sourced from PubChem (CID 142811862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).