1,3-bis[1-(2-methylphenyl)ethenyl]benzene

C24H22 — CID 3086614

IUPAC1,3-bis[1-(2-methylphenyl)ethenyl]benzene
SMILESC=C(c1cccc(C(=C)c2ccccc2C)c1)c1ccccc1C
InChIInChI=1S/C24H22/c1-17-10-5-7-14-23(17)19(3)21-12-9-13-22(16-21)20(4)24-15-8-6-11-18(24)2/h5-16H,3-4H2,1-2H3
InChIKeyBPOKXOUKXFUPBU-UHFFFAOYSA-N
MW310.44 g/mol
LogP6.43
Rot. Bonds4

About 1,3-bis[1-(2-methylphenyl)ethenyl]benzene

1,3-bis[1-(2-methylphenyl)ethenyl]benzene (PubChem CID 3086614) has the molecular formula C24H22 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1,3-bis[1-(2-methylphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1,3-bis[1-(2-methylphenyl)ethenyl]benzene
PubChem CID3086614
Molecular FormulaC24H22
Molecular Weight310.44 g/mol
Exact Mass310.17
IUPAC Name1,3-bis[1-(2-methylphenyl)ethenyl]benzene
SMILESC=C(c1cccc(C(=C)c2ccccc2C)c1)c1ccccc1C
InChIInChI=1S/C24H22/c1-17-10-5-7-14-23(17)19(3)21-12-9-13-22(16-21)20(4)24-15-8-6-11-18(24)2/h5-16H,3-4H2,1-2H3
InChIKeyBPOKXOUKXFUPBU-UHFFFAOYSA-N
XLogP6.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[1-(2-methylphenyl)ethenyl]benzene?
The IUPAC name of 1,3-bis[1-(2-methylphenyl)ethenyl]benzene (CID 3086614) is 1,3-bis[1-(2-methylphenyl)ethenyl]benzene.
What is the SMILES notation for 1,3-bis[1-(2-methylphenyl)ethenyl]benzene?
The canonical SMILES for 1,3-bis[1-(2-methylphenyl)ethenyl]benzene is C=C(c1cccc(C(=C)c2ccccc2C)c1)c1ccccc1C.
What is the InChIKey of 1,3-bis[1-(2-methylphenyl)ethenyl]benzene?
The InChIKey is BPOKXOUKXFUPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22/c1-17-10-5-7-14-23(17)19(3)21-12-9-13-22(16-21)20(4)24-15-8-6-11-18(24)2/h5-16H,3-4H2,1-2H3.
What are the key properties of 1,3-bis[1-(2-methylphenyl)ethenyl]benzene?
1,3-bis[1-(2-methylphenyl)ethenyl]benzene has a molecular weight of 310.44 g/mol, XLogP of 6.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[1-(2-methylphenyl)ethenyl]benzene is sourced from PubChem (CID 3086614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).