2,4-dimethyl-1-prop-2-enoxybenzene

C11H14O — CID 3023179

IUPAC2,4-dimethyl-1-prop-2-enoxybenzene
SMILESC=CCOc1ccc(C)cc1C
InChIInChI=1S/C11H14O/c1-4-7-12-11-6-5-9(2)8-10(11)3/h4-6,8H,1,7H2,2-3H3
InChIKeyZJSJAHBINHESJA-UHFFFAOYSA-N
MW162.23 g/mol
LogP2.87
Rot. Bonds3

About 2,4-dimethyl-1-prop-2-enoxybenzene

2,4-dimethyl-1-prop-2-enoxybenzene (PubChem CID 3023179) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 2,4-dimethyl-1-prop-2-enoxybenzene.

Molecular Properties

Compound Name2,4-dimethyl-1-prop-2-enoxybenzene
PubChem CID3023179
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name2,4-dimethyl-1-prop-2-enoxybenzene
SMILESC=CCOc1ccc(C)cc1C
InChIInChI=1S/C11H14O/c1-4-7-12-11-6-5-9(2)8-10(11)3/h4-6,8H,1,7H2,2-3H3
InChIKeyZJSJAHBINHESJA-UHFFFAOYSA-N
XLogP2.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,4-dimethyl-1-prop-2-enoxybenzene 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

2,4-dimethyl-1-pent-4-enoxybenzene
CID 64763519
trimethyl-(5-methyl-2-prop-2-enoxyphenyl)silane
CID 91060946
4-(chloromethyl)-2-methyl-1-prop-2-enoxybenzene
CID 22242077
ethane;1-[(E)-4-methoxybut-2-enoxy]-2,4-dimethylbenzene
CID 143283214
1-ethenyl-4-methyl-2-prop-2-enoxybenzene
CID 59606813
4-methyl-1-propan-2-yloxy-2-prop-2-enoxybenzene
CID 145107879
1-(fluoromethoxy)-2,4-dimethylbenzene
CID 58637499
3-methyl-4-prop-2-enoxybenzenesulfonamide
CID 82921078
ethane;1-ethenoxy-2,4-dimethylbenzene
CID 145162250
2-[(E)-2-[2,5-bis(prop-2-enoxy)phenyl]ethenyl]-1,4-dimethylbenzene
CID 11809378
1-(3,3-difluoropent-4-enoxy)-2,4-dimethylbenzene
CID 155580233
5-[1,1-bis(3-methyl-4-prop-2-enoxyphenyl)ethyl]-1,3-dimethyl-2-prop-2-enoxybenzene
CID 171421209

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-prop-2-enoxybenzene?
The IUPAC name of 2,4-dimethyl-1-prop-2-enoxybenzene (CID 3023179) is 2,4-dimethyl-1-prop-2-enoxybenzene.
What is the SMILES notation for 2,4-dimethyl-1-prop-2-enoxybenzene?
The canonical SMILES for 2,4-dimethyl-1-prop-2-enoxybenzene is C=CCOc1ccc(C)cc1C.
What is the InChIKey of 2,4-dimethyl-1-prop-2-enoxybenzene?
The InChIKey is ZJSJAHBINHESJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-4-7-12-11-6-5-9(2)8-10(11)3/h4-6,8H,1,7H2,2-3H3.
What are the key properties of 2,4-dimethyl-1-prop-2-enoxybenzene?
2,4-dimethyl-1-prop-2-enoxybenzene has a molecular weight of 162.23 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-prop-2-enoxybenzene is sourced from PubChem (CID 3023179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).