1-[(2E,4Z)-hepta-2,4-dien-2-yl]-4-(4-methylphenoxy)benzene

C20H22O — CID 143744934

IUPAC1-[(2E,4Z)-hepta-2,4-dien-2-yl]-4-(4-methylphenoxy)benzene
SMILESCC/C=C\C=C(/C)c1ccc(Oc2ccc(C)cc2)cc1
InChIInChI=1S/C20H22O/c1-4-5-6-7-17(3)18-10-14-20(15-11-18)21-19-12-8-16(2)9-13-19/h5-15H,4H2,1-3H3/b6-5-,17-7+
InChIKeyJUQZSYGYKQWIBI-IANWOCAHSA-N
MW278.40 g/mol
LogP6.16
Rot. Bonds5

About 1-[(2E,4Z)-hepta-2,4-dien-2-yl]-4-(4-methylphenoxy)benzene

1-[(2E,4Z)-hepta-2,4-dien-2-yl]-4-(4-methylphenoxy)benzene (PubChem CID 143744934) has the molecular formula C20H22O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[(2E,4Z)-hepta-2,4-dien-2-yl]-4-(4-methylphenoxy)benzene.

Molecular Properties

Compound Name1-[(2E,4Z)-hepta-2,4-dien-2-yl]-4-(4-methylphenoxy)benzene
PubChem CID143744934
Molecular FormulaC20H22O
Molecular Weight278.40 g/mol
Exact Mass278.17
IUPAC Name1-[(2E,4Z)-hepta-2,4-dien-2-yl]-4-(4-methylphenoxy)benzene
SMILESCC/C=C\C=C(/C)c1ccc(Oc2ccc(C)cc2)cc1
InChIInChI=1S/C20H22O/c1-4-5-6-7-17(3)18-10-14-20(15-11-18)21-19-12-8-16(2)9-13-19/h5-15H,4H2,1-3H3/b6-5-,17-7+
InChIKeyJUQZSYGYKQWIBI-IANWOCAHSA-N
XLogP6.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.40
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2E,4Z)-hepta-2,4-dien-2-yl]-4-(4-methylphenoxy)benzene?
The IUPAC name of 1-[(2E,4Z)-hepta-2,4-dien-2-yl]-4-(4-methylphenoxy)benzene (CID 143744934) is 1-[(2E,4Z)-hepta-2,4-dien-2-yl]-4-(4-methylphenoxy)benzene.
What is the SMILES notation for 1-[(2E,4Z)-hepta-2,4-dien-2-yl]-4-(4-methylphenoxy)benzene?
The canonical SMILES for 1-[(2E,4Z)-hepta-2,4-dien-2-yl]-4-(4-methylphenoxy)benzene is CC/C=C\C=C(/C)c1ccc(Oc2ccc(C)cc2)cc1.
What is the InChIKey of 1-[(2E,4Z)-hepta-2,4-dien-2-yl]-4-(4-methylphenoxy)benzene?
The InChIKey is JUQZSYGYKQWIBI-IANWOCAHSA-N. The full InChI is InChI=1S/C20H22O/c1-4-5-6-7-17(3)18-10-14-20(15-11-18)21-19-12-8-16(2)9-13-19/h5-15H,4H2,1-3H3/b6-5-,17-7+.
What are the key properties of 1-[(2E,4Z)-hepta-2,4-dien-2-yl]-4-(4-methylphenoxy)benzene?
1-[(2E,4Z)-hepta-2,4-dien-2-yl]-4-(4-methylphenoxy)benzene has a molecular weight of 278.40 g/mol, XLogP of 6.16, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4Z)-hepta-2,4-dien-2-yl]-4-(4-methylphenoxy)benzene is sourced from PubChem (CID 143744934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).