4-methoxy-1-propan-2-yloxy-2-prop-2-enylbenzene

C13H18O2 — CID 52913561

IUPAC4-methoxy-1-propan-2-yloxy-2-prop-2-enylbenzene
SMILESC=CCc1cc(OC)ccc1OC(C)C
InChIInChI=1S/C13H18O2/c1-5-6-11-9-12(14-4)7-8-13(11)15-10(2)3/h5,7-10H,1,6H2,2-4H3
InChIKeyVQUVIYABECAVJF-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.21
Rot. Bonds5

About 4-methoxy-1-propan-2-yloxy-2-prop-2-enylbenzene

4-methoxy-1-propan-2-yloxy-2-prop-2-enylbenzene (PubChem CID 52913561) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 4-methoxy-1-propan-2-yloxy-2-prop-2-enylbenzene.

Molecular Properties

Compound Name4-methoxy-1-propan-2-yloxy-2-prop-2-enylbenzene
PubChem CID52913561
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name4-methoxy-1-propan-2-yloxy-2-prop-2-enylbenzene
SMILESC=CCc1cc(OC)ccc1OC(C)C
InChIInChI=1S/C13H18O2/c1-5-6-11-9-12(14-4)7-8-13(11)15-10(2)3/h5,7-10H,1,6H2,2-4H3
InChIKeyVQUVIYABECAVJF-UHFFFAOYSA-N
XLogP3.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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-1-propan-2-yloxy-2-prop-2-enylbenzene?
The IUPAC name of 4-methoxy-1-propan-2-yloxy-2-prop-2-enylbenzene (CID 52913561) is 4-methoxy-1-propan-2-yloxy-2-prop-2-enylbenzene.
What is the SMILES notation for 4-methoxy-1-propan-2-yloxy-2-prop-2-enylbenzene?
The canonical SMILES for 4-methoxy-1-propan-2-yloxy-2-prop-2-enylbenzene is C=CCc1cc(OC)ccc1OC(C)C.
What is the InChIKey of 4-methoxy-1-propan-2-yloxy-2-prop-2-enylbenzene?
The InChIKey is VQUVIYABECAVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-5-6-11-9-12(14-4)7-8-13(11)15-10(2)3/h5,7-10H,1,6H2,2-4H3.
What are the key properties of 4-methoxy-1-propan-2-yloxy-2-prop-2-enylbenzene?
4-methoxy-1-propan-2-yloxy-2-prop-2-enylbenzene has a molecular weight of 206.28 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-propan-2-yloxy-2-prop-2-enylbenzene is sourced from PubChem (CID 52913561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).