2-[(Z)-2-[4-(4-ethylphenyl)phenyl]ethenyl]-7,7-dimethylcyclohepta-1,3,5-triene

C25H26 — CID 163772161

IUPAC2-[(Z)-2-[4-(4-ethylphenyl)phenyl]ethenyl]-7,7-dimethylcyclohepta-1,3,5-triene
SMILESCCc1ccc(-c2ccc(/C=C\C3=CC(C)(C)C=CC=C3)cc2)cc1
InChIInChI=1S/C25H26/c1-4-20-10-14-23(15-11-20)24-16-12-21(13-17-24)8-9-22-7-5-6-18-25(2,3)19-22/h5-19H,4H2,1-3H3/b9-8-
InChIKeyMHIZCJZPYBLDCW-HJWRWDBZSA-N
MW326.48 g/mol
LogP7.01
Rot. Bonds4

About 2-[(Z)-2-[4-(4-ethylphenyl)phenyl]ethenyl]-7,7-dimethylcyclohepta-1,3,5-triene

2-[(Z)-2-[4-(4-ethylphenyl)phenyl]ethenyl]-7,7-dimethylcyclohepta-1,3,5-triene (PubChem CID 163772161) has the molecular formula C25H26 and a molecular weight of 326.48 g/mol. Its IUPAC name is 2-[(Z)-2-[4-(4-ethylphenyl)phenyl]ethenyl]-7,7-dimethylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name2-[(Z)-2-[4-(4-ethylphenyl)phenyl]ethenyl]-7,7-dimethylcyclohepta-1,3,5-triene
PubChem CID163772161
Molecular FormulaC25H26
Molecular Weight326.48 g/mol
Exact Mass326.20
IUPAC Name2-[(Z)-2-[4-(4-ethylphenyl)phenyl]ethenyl]-7,7-dimethylcyclohepta-1,3,5-triene
SMILESCCc1ccc(-c2ccc(/C=C\C3=CC(C)(C)C=CC=C3)cc2)cc1
InChIInChI=1S/C25H26/c1-4-20-10-14-23(15-11-20)24-16-12-21(13-17-24)8-9-22-7-5-6-18-25(2,3)19-22/h5-19H,4H2,1-3H3/b9-8-
InChIKeyMHIZCJZPYBLDCW-HJWRWDBZSA-N
XLogP7.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-[4-(4-ethylphenyl)phenyl]ethenyl]-7,7-dimethylcyclohepta-1,3,5-triene?
The IUPAC name of 2-[(Z)-2-[4-(4-ethylphenyl)phenyl]ethenyl]-7,7-dimethylcyclohepta-1,3,5-triene (CID 163772161) is 2-[(Z)-2-[4-(4-ethylphenyl)phenyl]ethenyl]-7,7-dimethylcyclohepta-1,3,5-triene.
What is the SMILES notation for 2-[(Z)-2-[4-(4-ethylphenyl)phenyl]ethenyl]-7,7-dimethylcyclohepta-1,3,5-triene?
The canonical SMILES for 2-[(Z)-2-[4-(4-ethylphenyl)phenyl]ethenyl]-7,7-dimethylcyclohepta-1,3,5-triene is CCc1ccc(-c2ccc(/C=C\C3=CC(C)(C)C=CC=C3)cc2)cc1.
What is the InChIKey of 2-[(Z)-2-[4-(4-ethylphenyl)phenyl]ethenyl]-7,7-dimethylcyclohepta-1,3,5-triene?
The InChIKey is MHIZCJZPYBLDCW-HJWRWDBZSA-N. The full InChI is InChI=1S/C25H26/c1-4-20-10-14-23(15-11-20)24-16-12-21(13-17-24)8-9-22-7-5-6-18-25(2,3)19-22/h5-19H,4H2,1-3H3/b9-8-.
What are the key properties of 2-[(Z)-2-[4-(4-ethylphenyl)phenyl]ethenyl]-7,7-dimethylcyclohepta-1,3,5-triene?
2-[(Z)-2-[4-(4-ethylphenyl)phenyl]ethenyl]-7,7-dimethylcyclohepta-1,3,5-triene has a molecular weight of 326.48 g/mol, XLogP of 7.01, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-[4-(4-ethylphenyl)phenyl]ethenyl]-7,7-dimethylcyclohepta-1,3,5-triene is sourced from PubChem (CID 163772161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).