1-methoxy-3-[(1E)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]benzene

C19H20O2 — CID 70685746

IUPAC1-methoxy-3-[(1E)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]benzene
SMILESC=CC(/C=C/c1ccc(OC)cc1)c1cccc(OC)c1
InChIInChI=1S/C19H20O2/c1-4-16(17-6-5-7-19(14-17)21-3)11-8-15-9-12-18(20-2)13-10-15/h4-14,16H,1H2,2-3H3/b11-8+
InChIKeyKPXCCISJUBCEPB-DHZHZOJOSA-N
MW280.37 g/mol
LogP4.69
Rot. Bonds6

About 1-methoxy-3-[(1E)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]benzene

1-methoxy-3-[(1E)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]benzene (PubChem CID 70685746) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-methoxy-3-[(1E)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]benzene.

Molecular Properties

Compound Name1-methoxy-3-[(1E)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]benzene
PubChem CID70685746
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name1-methoxy-3-[(1E)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]benzene
SMILESC=CC(/C=C/c1ccc(OC)cc1)c1cccc(OC)c1
InChIInChI=1S/C19H20O2/c1-4-16(17-6-5-7-19(14-17)21-3)11-8-15-9-12-18(20-2)13-10-15/h4-14,16H,1H2,2-3H3/b11-8+
InChIKeyKPXCCISJUBCEPB-DHZHZOJOSA-N
XLogP4.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.69
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-3-[(1E)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]benzene?
The IUPAC name of 1-methoxy-3-[(1E)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]benzene (CID 70685746) is 1-methoxy-3-[(1E)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]benzene.
What is the SMILES notation for 1-methoxy-3-[(1E)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]benzene?
The canonical SMILES for 1-methoxy-3-[(1E)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]benzene is C=CC(/C=C/c1ccc(OC)cc1)c1cccc(OC)c1.
What is the InChIKey of 1-methoxy-3-[(1E)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]benzene?
The InChIKey is KPXCCISJUBCEPB-DHZHZOJOSA-N. The full InChI is InChI=1S/C19H20O2/c1-4-16(17-6-5-7-19(14-17)21-3)11-8-15-9-12-18(20-2)13-10-15/h4-14,16H,1H2,2-3H3/b11-8+.
What are the key properties of 1-methoxy-3-[(1E)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]benzene?
1-methoxy-3-[(1E)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]benzene has a molecular weight of 280.37 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[(1E)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]benzene is sourced from PubChem (CID 70685746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).