3-[2-[4-(4-methylphenyl)phenyl]prop-1-enyl]bicyclo[4.1.0]hepta-2,4-diene

C23H22 — CID 143126378

IUPAC3-[2-[4-(4-methylphenyl)phenyl]prop-1-enyl]bicyclo[4.1.0]hepta-2,4-diene
SMILESCC(=CC1=CC2CC2C=C1)c1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C23H22/c1-16-3-6-20(7-4-16)21-11-9-19(10-12-21)17(2)13-18-5-8-22-15-23(22)14-18/h3-14,22-23H,15H2,1-2H3
InChIKeyFZDNFJISOLLXBY-UHFFFAOYSA-N
MW298.43 g/mol
LogP6.20
Rot. Bonds3

About 3-[2-[4-(4-methylphenyl)phenyl]prop-1-enyl]bicyclo[4.1.0]hepta-2,4-diene

3-[2-[4-(4-methylphenyl)phenyl]prop-1-enyl]bicyclo[4.1.0]hepta-2,4-diene (PubChem CID 143126378) has the molecular formula C23H22 and a molecular weight of 298.43 g/mol. Its IUPAC name is 3-[2-[4-(4-methylphenyl)phenyl]prop-1-enyl]bicyclo[4.1.0]hepta-2,4-diene.

Molecular Properties

Compound Name3-[2-[4-(4-methylphenyl)phenyl]prop-1-enyl]bicyclo[4.1.0]hepta-2,4-diene
PubChem CID143126378
Molecular FormulaC23H22
Molecular Weight298.43 g/mol
Exact Mass298.17
IUPAC Name3-[2-[4-(4-methylphenyl)phenyl]prop-1-enyl]bicyclo[4.1.0]hepta-2,4-diene
SMILESCC(=CC1=CC2CC2C=C1)c1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C23H22/c1-16-3-6-20(7-4-16)21-11-9-19(10-12-21)17(2)13-18-5-8-22-15-23(22)14-18/h3-14,22-23H,15H2,1-2H3
InChIKeyFZDNFJISOLLXBY-UHFFFAOYSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-[2-[4-(4-methylphenyl)phenyl]prop-1-enyl]bicyclo[4.1.0]hepta-2,4-diene with MolForge

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Related Compounds

formaldehyde;2-methoxyethylbenzene;bis(1-methylnaphthalene);3-[2-[4-(4-methylphenyl)phenyl]prop-1-enyl]bicyclo[4.1.0]hepta-2,4-diene
CID 143126377
N-(3-bicyclo[4.1.0]hepta-2,4-dienylmethyl)-4-methylbenzamide
CID 142217496
1-methyl-4-[2-(4-phenylphenyl)prop-1-enyl]benzene
CID 58019403
1-[(Z)-but-2-en-2-yl]-4-methylbenzene
CID 58843251
1-but-2-en-2-yl-4-methylbenzene
CID 12583115
1-methyl-4-[(2E,5E)-6-(4-methylphenyl)hepta-2,5-dien-2-yl]benzene
CID 169013280
4-methyl-N-(4-methylphenyl)-N-[4-[4-[1-[4-(N-phenylanilino)phenyl]prop-1-en-2-yl]phenyl]phenyl]aniline
CID 76600728
1-methyl-4-(4-prop-1-en-2-ylphenyl)benzene
CID 20594776
1-methyl-4-[4-[(2E)-penta-2,4-dien-2-yl]phenyl]benzene;propane
CID 145212384
1-phenyl-4-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]benzene
CID 101427630
ethane;1-methyl-4-[(Z)-2-(4-methylcyclohexa-1,5-dien-1-yl)-1-(4-propan-2-ylphenyl)ethenyl]benzene
CID 143084783
[(1R,2R)-2-(4-methylbenzoyl)cyclopropyl]-(4-methylphenyl)methanone
CID 12032685

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(4-methylphenyl)phenyl]prop-1-enyl]bicyclo[4.1.0]hepta-2,4-diene?
The IUPAC name of 3-[2-[4-(4-methylphenyl)phenyl]prop-1-enyl]bicyclo[4.1.0]hepta-2,4-diene (CID 143126378) is 3-[2-[4-(4-methylphenyl)phenyl]prop-1-enyl]bicyclo[4.1.0]hepta-2,4-diene.
What is the SMILES notation for 3-[2-[4-(4-methylphenyl)phenyl]prop-1-enyl]bicyclo[4.1.0]hepta-2,4-diene?
The canonical SMILES for 3-[2-[4-(4-methylphenyl)phenyl]prop-1-enyl]bicyclo[4.1.0]hepta-2,4-diene is CC(=CC1=CC2CC2C=C1)c1ccc(-c2ccc(C)cc2)cc1.
What is the InChIKey of 3-[2-[4-(4-methylphenyl)phenyl]prop-1-enyl]bicyclo[4.1.0]hepta-2,4-diene?
The InChIKey is FZDNFJISOLLXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22/c1-16-3-6-20(7-4-16)21-11-9-19(10-12-21)17(2)13-18-5-8-22-15-23(22)14-18/h3-14,22-23H,15H2,1-2H3.
What are the key properties of 3-[2-[4-(4-methylphenyl)phenyl]prop-1-enyl]bicyclo[4.1.0]hepta-2,4-diene?
3-[2-[4-(4-methylphenyl)phenyl]prop-1-enyl]bicyclo[4.1.0]hepta-2,4-diene has a molecular weight of 298.43 g/mol, XLogP of 6.20, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(4-methylphenyl)phenyl]prop-1-enyl]bicyclo[4.1.0]hepta-2,4-diene is sourced from PubChem (CID 143126378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).