4-(4-methoxyphenyl)-1-prop-2-enoxy-2-prop-2-enylbenzene

C19H20O2 — CID 54758176

IUPAC4-(4-methoxyphenyl)-1-prop-2-enoxy-2-prop-2-enylbenzene
SMILESC=CCOc1ccc(-c2ccc(OC)cc2)cc1CC=C
InChIInChI=1S/C19H20O2/c1-4-6-17-14-16(9-12-19(17)21-13-5-2)15-7-10-18(20-3)11-8-15/h4-5,7-12,14H,1-2,6,13H2,3H3
InChIKeyMPMJROOZYBAGSK-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.66
Rot. Bonds7

About 4-(4-methoxyphenyl)-1-prop-2-enoxy-2-prop-2-enylbenzene

4-(4-methoxyphenyl)-1-prop-2-enoxy-2-prop-2-enylbenzene (PubChem CID 54758176) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-prop-2-enoxy-2-prop-2-enylbenzene.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-prop-2-enoxy-2-prop-2-enylbenzene
PubChem CID54758176
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name4-(4-methoxyphenyl)-1-prop-2-enoxy-2-prop-2-enylbenzene
SMILESC=CCOc1ccc(-c2ccc(OC)cc2)cc1CC=C
InChIInChI=1S/C19H20O2/c1-4-6-17-14-16(9-12-19(17)21-13-5-2)15-7-10-18(20-3)11-8-15/h4-5,7-12,14H,1-2,6,13H2,3H3
InChIKeyMPMJROOZYBAGSK-UHFFFAOYSA-N
XLogP4.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.66
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-(4-methoxyphenyl)-1-prop-2-enoxy-2-prop-2-enylbenzene?
The IUPAC name of 4-(4-methoxyphenyl)-1-prop-2-enoxy-2-prop-2-enylbenzene (CID 54758176) is 4-(4-methoxyphenyl)-1-prop-2-enoxy-2-prop-2-enylbenzene.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-prop-2-enoxy-2-prop-2-enylbenzene?
The canonical SMILES for 4-(4-methoxyphenyl)-1-prop-2-enoxy-2-prop-2-enylbenzene is C=CCOc1ccc(-c2ccc(OC)cc2)cc1CC=C.
What is the InChIKey of 4-(4-methoxyphenyl)-1-prop-2-enoxy-2-prop-2-enylbenzene?
The InChIKey is MPMJROOZYBAGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-4-6-17-14-16(9-12-19(17)21-13-5-2)15-7-10-18(20-3)11-8-15/h4-5,7-12,14H,1-2,6,13H2,3H3.
What are the key properties of 4-(4-methoxyphenyl)-1-prop-2-enoxy-2-prop-2-enylbenzene?
4-(4-methoxyphenyl)-1-prop-2-enoxy-2-prop-2-enylbenzene has a molecular weight of 280.37 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-prop-2-enoxy-2-prop-2-enylbenzene is sourced from PubChem (CID 54758176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).