1-[1-(4-methoxyphenyl)ethenyl]-4-[4-(4-methylphenyl)phenoxy]benzene

C28H24O2 — CID 162199896

IUPAC1-[1-(4-methoxyphenyl)ethenyl]-4-[4-(4-methylphenyl)phenoxy]benzene
SMILESC=C(c1ccc(OC)cc1)c1ccc(Oc2ccc(-c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C28H24O2/c1-20-4-6-24(7-5-20)25-12-18-28(19-13-25)30-27-16-10-23(11-17-27)21(2)22-8-14-26(29-3)15-9-22/h4-19H,2H2,1,3H3
InChIKeyVUJPSMKASYDHFC-UHFFFAOYSA-N
MW392.50 g/mol
LogP7.52
Rot. Bonds6

About 1-[1-(4-methoxyphenyl)ethenyl]-4-[4-(4-methylphenyl)phenoxy]benzene

1-[1-(4-methoxyphenyl)ethenyl]-4-[4-(4-methylphenyl)phenoxy]benzene (PubChem CID 162199896) has the molecular formula C28H24O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)ethenyl]-4-[4-(4-methylphenyl)phenoxy]benzene.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)ethenyl]-4-[4-(4-methylphenyl)phenoxy]benzene
PubChem CID162199896
Molecular FormulaC28H24O2
Molecular Weight392.50 g/mol
Exact Mass392.18
IUPAC Name1-[1-(4-methoxyphenyl)ethenyl]-4-[4-(4-methylphenyl)phenoxy]benzene
SMILESC=C(c1ccc(OC)cc1)c1ccc(Oc2ccc(-c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C28H24O2/c1-20-4-6-24(7-5-20)25-12-18-28(19-13-25)30-27-16-10-23(11-17-27)21(2)22-8-14-26(29-3)15-9-22/h4-19H,2H2,1,3H3
InChIKeyVUJPSMKASYDHFC-UHFFFAOYSA-N
XLogP7.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)ethenyl]-4-[4-(4-methylphenyl)phenoxy]benzene?
The IUPAC name of 1-[1-(4-methoxyphenyl)ethenyl]-4-[4-(4-methylphenyl)phenoxy]benzene (CID 162199896) is 1-[1-(4-methoxyphenyl)ethenyl]-4-[4-(4-methylphenyl)phenoxy]benzene.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)ethenyl]-4-[4-(4-methylphenyl)phenoxy]benzene?
The canonical SMILES for 1-[1-(4-methoxyphenyl)ethenyl]-4-[4-(4-methylphenyl)phenoxy]benzene is C=C(c1ccc(OC)cc1)c1ccc(Oc2ccc(-c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)ethenyl]-4-[4-(4-methylphenyl)phenoxy]benzene?
The InChIKey is VUJPSMKASYDHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24O2/c1-20-4-6-24(7-5-20)25-12-18-28(19-13-25)30-27-16-10-23(11-17-27)21(2)22-8-14-26(29-3)15-9-22/h4-19H,2H2,1,3H3.
What are the key properties of 1-[1-(4-methoxyphenyl)ethenyl]-4-[4-(4-methylphenyl)phenoxy]benzene?
1-[1-(4-methoxyphenyl)ethenyl]-4-[4-(4-methylphenyl)phenoxy]benzene has a molecular weight of 392.50 g/mol, XLogP of 7.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)ethenyl]-4-[4-(4-methylphenyl)phenoxy]benzene is sourced from PubChem (CID 162199896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).