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

C13H18O2 — CID 24770094

IUPAC1-methoxy-2-prop-2-enyl-4-propoxybenzene
SMILESC=CCc1cc(OCCC)ccc1OC
InChIInChI=1S/C13H18O2/c1-4-6-11-10-12(15-9-5-2)7-8-13(11)14-3/h4,7-8,10H,1,5-6,9H2,2-3H3
InChIKeyHRQYZNPNHWCOQG-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.21
Rot. Bonds6

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

1-methoxy-2-prop-2-enyl-4-propoxybenzene (PubChem CID 24770094) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-methoxy-2-prop-2-enyl-4-propoxybenzene.

Molecular Properties

Compound Name1-methoxy-2-prop-2-enyl-4-propoxybenzene
PubChem CID24770094
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name1-methoxy-2-prop-2-enyl-4-propoxybenzene
SMILESC=CCc1cc(OCCC)ccc1OC
InChIInChI=1S/C13H18O2/c1-4-6-11-10-12(15-9-5-2)7-8-13(11)14-3/h4,7-8,10H,1,5-6,9H2,2-3H3
InChIKeyHRQYZNPNHWCOQG-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 1-methoxy-2-prop-2-enyl-4-propoxybenzene?
The IUPAC name of 1-methoxy-2-prop-2-enyl-4-propoxybenzene (CID 24770094) is 1-methoxy-2-prop-2-enyl-4-propoxybenzene.
What is the SMILES notation for 1-methoxy-2-prop-2-enyl-4-propoxybenzene?
The canonical SMILES for 1-methoxy-2-prop-2-enyl-4-propoxybenzene is C=CCc1cc(OCCC)ccc1OC.
What is the InChIKey of 1-methoxy-2-prop-2-enyl-4-propoxybenzene?
The InChIKey is HRQYZNPNHWCOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-4-6-11-10-12(15-9-5-2)7-8-13(11)14-3/h4,7-8,10H,1,5-6,9H2,2-3H3.
What are the key properties of 1-methoxy-2-prop-2-enyl-4-propoxybenzene?
1-methoxy-2-prop-2-enyl-4-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 1-methoxy-2-prop-2-enyl-4-propoxybenzene is sourced from PubChem (CID 24770094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).