1-methoxy-4-[(E)-4-(4-methoxyphenyl)hex-3-en-3-yl]benzene

C20H24O2 — CID 3032539

IUPAC1-methoxy-4-[(E)-4-(4-methoxyphenyl)hex-3-en-3-yl]benzene
SMILESCC/C(=C(/CC)c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C20H24O2/c1-5-19(15-7-11-17(21-3)12-8-15)20(6-2)16-9-13-18(22-4)14-10-16/h7-14H,5-6H2,1-4H3/b20-19+
InChIKeyVQOAQMIKPYNCMV-FMQUCBEESA-N
MW296.41 g/mol
LogP5.43
Rot. Bonds6

About 1-methoxy-4-[(E)-4-(4-methoxyphenyl)hex-3-en-3-yl]benzene

1-methoxy-4-[(E)-4-(4-methoxyphenyl)hex-3-en-3-yl]benzene (PubChem CID 3032539) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-methoxy-4-[(E)-4-(4-methoxyphenyl)hex-3-en-3-yl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[(E)-4-(4-methoxyphenyl)hex-3-en-3-yl]benzene
PubChem CID3032539
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name1-methoxy-4-[(E)-4-(4-methoxyphenyl)hex-3-en-3-yl]benzene
SMILESCC/C(=C(/CC)c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C20H24O2/c1-5-19(15-7-11-17(21-3)12-8-15)20(6-2)16-9-13-18(22-4)14-10-16/h7-14H,5-6H2,1-4H3/b20-19+
InChIKeyVQOAQMIKPYNCMV-FMQUCBEESA-N
XLogP5.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.41
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(E)-4-(4-methoxyphenyl)hex-3-en-3-yl]benzene?
The IUPAC name of 1-methoxy-4-[(E)-4-(4-methoxyphenyl)hex-3-en-3-yl]benzene (CID 3032539) is 1-methoxy-4-[(E)-4-(4-methoxyphenyl)hex-3-en-3-yl]benzene.
What is the SMILES notation for 1-methoxy-4-[(E)-4-(4-methoxyphenyl)hex-3-en-3-yl]benzene?
The canonical SMILES for 1-methoxy-4-[(E)-4-(4-methoxyphenyl)hex-3-en-3-yl]benzene is CC/C(=C(/CC)c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-[(E)-4-(4-methoxyphenyl)hex-3-en-3-yl]benzene?
The InChIKey is VQOAQMIKPYNCMV-FMQUCBEESA-N. The full InChI is InChI=1S/C20H24O2/c1-5-19(15-7-11-17(21-3)12-8-15)20(6-2)16-9-13-18(22-4)14-10-16/h7-14H,5-6H2,1-4H3/b20-19+.
What are the key properties of 1-methoxy-4-[(E)-4-(4-methoxyphenyl)hex-3-en-3-yl]benzene?
1-methoxy-4-[(E)-4-(4-methoxyphenyl)hex-3-en-3-yl]benzene has a molecular weight of 296.41 g/mol, XLogP of 5.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(E)-4-(4-methoxyphenyl)hex-3-en-3-yl]benzene is sourced from PubChem (CID 3032539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).