ethene;4-methoxy-1,2-dimethylbenzene

C11H16O — CID 145003805

IUPACethene;4-methoxy-1,2-dimethylbenzene
SMILESC=C.COc1ccc(C)c(C)c1
InChIInChI=1S/C9H12O.C2H4/c1-7-4-5-9(10-3)6-8(7)2;1-2/h4-6H,1-3H3;1-2H2
InChIKeySMDFBOLHZKEOJO-UHFFFAOYSA-N
MW164.25 g/mol
LogP3.11
Rot. Bonds1

About ethene;4-methoxy-1,2-dimethylbenzene

ethene;4-methoxy-1,2-dimethylbenzene (PubChem CID 145003805) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is ethene;4-methoxy-1,2-dimethylbenzene.

Molecular Properties

Compound Nameethene;4-methoxy-1,2-dimethylbenzene
PubChem CID145003805
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Nameethene;4-methoxy-1,2-dimethylbenzene
SMILESC=C.COc1ccc(C)c(C)c1
InChIInChI=1S/C9H12O.C2H4/c1-7-4-5-9(10-3)6-8(7)2;1-2/h4-6H,1-3H3;1-2H2
InChIKeySMDFBOLHZKEOJO-UHFFFAOYSA-N
XLogP3.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethene;4-methoxy-1,2-dimethylbenzene 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

formaldehyde;4-methoxy-1,2-dimethylbenzene
CID 157089381
ethane;4-methoxy-1,2-dimethylbenzene;5-methoxy-1,2,3-trimethylbenzene
CID 171649028
2-chloro-4-methoxy-1-methylbenzene
CID 6951757
azane;4-methoxy-1,2-dimethylbenzene;osmium(2+);bis(trifluoromethanesulfonate)
CID 11146932
CID 59952153
CID 59952153
4-[(Z)-2-(4-methoxyphenyl)ethenyl]-1,2-dimethylbenzene
CID 10999067
4-methoxy-2-methyl-1-prop-1-en-2-ylbenzene
CID 90442837
1,2-dimethoxy-4-(5-methoxy-2-methylphenoxy)benzene
CID 123959246
(5-methoxy-2-methylphenyl) hypoiodite
CID 142839630
4-methoxy-2-methyl-1-[1,2,2-tris(4-methoxy-2-methylphenyl)ethenyl]benzene
CID 102177256
1-chloro-4-methoxy-2-methylbenzene;ethane
CID 143988962
(3,4-dimethylphenyl) 4-methoxybenzoate
CID 4928836

Frequently Asked Questions

What is the IUPAC name of ethene;4-methoxy-1,2-dimethylbenzene?
The IUPAC name of ethene;4-methoxy-1,2-dimethylbenzene (CID 145003805) is ethene;4-methoxy-1,2-dimethylbenzene.
What is the SMILES notation for ethene;4-methoxy-1,2-dimethylbenzene?
The canonical SMILES for ethene;4-methoxy-1,2-dimethylbenzene is C=C.COc1ccc(C)c(C)c1.
What is the InChIKey of ethene;4-methoxy-1,2-dimethylbenzene?
The InChIKey is SMDFBOLHZKEOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.C2H4/c1-7-4-5-9(10-3)6-8(7)2;1-2/h4-6H,1-3H3;1-2H2.
What are the key properties of ethene;4-methoxy-1,2-dimethylbenzene?
ethene;4-methoxy-1,2-dimethylbenzene has a molecular weight of 164.25 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;4-methoxy-1,2-dimethylbenzene is sourced from PubChem (CID 145003805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).