4-methoxy-1-(2-methylpropoxy)-2-prop-2-enylbenzene

C14H20O2 — CID 129010803

IUPAC4-methoxy-1-(2-methylpropoxy)-2-prop-2-enylbenzene
SMILESC=CCc1cc(OC)ccc1OCC(C)C
InChIInChI=1S/C14H20O2/c1-5-6-12-9-13(15-4)7-8-14(12)16-10-11(2)3/h5,7-9,11H,1,6,10H2,2-4H3
InChIKeyMOULDOAJYVRIEE-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.46
Rot. Bonds6

About 4-methoxy-1-(2-methylpropoxy)-2-prop-2-enylbenzene

4-methoxy-1-(2-methylpropoxy)-2-prop-2-enylbenzene (PubChem CID 129010803) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 4-methoxy-1-(2-methylpropoxy)-2-prop-2-enylbenzene.

Molecular Properties

Compound Name4-methoxy-1-(2-methylpropoxy)-2-prop-2-enylbenzene
PubChem CID129010803
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name4-methoxy-1-(2-methylpropoxy)-2-prop-2-enylbenzene
SMILESC=CCc1cc(OC)ccc1OCC(C)C
InChIInChI=1S/C14H20O2/c1-5-6-12-9-13(15-4)7-8-14(12)16-10-11(2)3/h5,7-9,11H,1,6,10H2,2-4H3
InChIKeyMOULDOAJYVRIEE-UHFFFAOYSA-N
XLogP3.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methoxy-1-(2-methylpropoxy)-2-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

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(2-methylpropoxy)-2-prop-2-enylbenzene?
The IUPAC name of 4-methoxy-1-(2-methylpropoxy)-2-prop-2-enylbenzene (CID 129010803) is 4-methoxy-1-(2-methylpropoxy)-2-prop-2-enylbenzene.
What is the SMILES notation for 4-methoxy-1-(2-methylpropoxy)-2-prop-2-enylbenzene?
The canonical SMILES for 4-methoxy-1-(2-methylpropoxy)-2-prop-2-enylbenzene is C=CCc1cc(OC)ccc1OCC(C)C.
What is the InChIKey of 4-methoxy-1-(2-methylpropoxy)-2-prop-2-enylbenzene?
The InChIKey is MOULDOAJYVRIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-5-6-12-9-13(15-4)7-8-14(12)16-10-11(2)3/h5,7-9,11H,1,6,10H2,2-4H3.
What are the key properties of 4-methoxy-1-(2-methylpropoxy)-2-prop-2-enylbenzene?
4-methoxy-1-(2-methylpropoxy)-2-prop-2-enylbenzene has a molecular weight of 220.31 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(2-methylpropoxy)-2-prop-2-enylbenzene is sourced from PubChem (CID 129010803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).