4-methoxy-2-prop-2-enyl-1-propoxybenzene

C13H18O2 — CID 24770788

IUPAC4-methoxy-2-prop-2-enyl-1-propoxybenzene
SMILESC=CCc1cc(OC)ccc1OCCC
InChIInChI=1S/C13H18O2/c1-4-6-11-10-12(14-3)7-8-13(11)15-9-5-2/h4,7-8,10H,1,5-6,9H2,2-3H3
InChIKeyMYLHDTVPIBYRAT-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.21
Rot. Bonds6

About 4-methoxy-2-prop-2-enyl-1-propoxybenzene

4-methoxy-2-prop-2-enyl-1-propoxybenzene (PubChem CID 24770788) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 4-methoxy-2-prop-2-enyl-1-propoxybenzene.

Molecular Properties

Compound Name4-methoxy-2-prop-2-enyl-1-propoxybenzene
PubChem CID24770788
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name4-methoxy-2-prop-2-enyl-1-propoxybenzene
SMILESC=CCc1cc(OC)ccc1OCCC
InChIInChI=1S/C13H18O2/c1-4-6-11-10-12(14-3)7-8-13(11)15-9-5-2/h4,7-8,10H,1,5-6,9H2,2-3H3
InChIKeyMYLHDTVPIBYRAT-UHFFFAOYSA-N
XLogP3.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-methoxy-2-prop-2-enyl-1-propoxybenzene?
The IUPAC name of 4-methoxy-2-prop-2-enyl-1-propoxybenzene (CID 24770788) is 4-methoxy-2-prop-2-enyl-1-propoxybenzene.
What is the SMILES notation for 4-methoxy-2-prop-2-enyl-1-propoxybenzene?
The canonical SMILES for 4-methoxy-2-prop-2-enyl-1-propoxybenzene is C=CCc1cc(OC)ccc1OCCC.
What is the InChIKey of 4-methoxy-2-prop-2-enyl-1-propoxybenzene?
The InChIKey is MYLHDTVPIBYRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-4-6-11-10-12(14-3)7-8-13(11)15-9-5-2/h4,7-8,10H,1,5-6,9H2,2-3H3.
What are the key properties of 4-methoxy-2-prop-2-enyl-1-propoxybenzene?
4-methoxy-2-prop-2-enyl-1-propoxybenzene has a molecular weight of 206.28 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-prop-2-enyl-1-propoxybenzene is sourced from PubChem (CID 24770788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).