1,4-bis[1-(4-methylphenyl)ethenyl]benzene;ethane

C28H34 — CID 123373957

IUPAC1,4-bis[1-(4-methylphenyl)ethenyl]benzene;ethane
SMILESC=C(c1ccc(C)cc1)c1ccc(C(=C)c2ccc(C)cc2)cc1.CC.CC
InChIInChI=1S/C24H22.2C2H6/c1-17-5-9-21(10-6-17)19(3)23-13-15-24(16-14-23)20(4)22-11-7-18(2)8-12-22;2*1-2/h5-16H,3-4H2,1-2H3;2*1-2H3
InChIKeyKEHCKURXNQIERQ-UHFFFAOYSA-N
MW370.58 g/mol
LogP8.48
Rot. Bonds4

About 1,4-bis[1-(4-methylphenyl)ethenyl]benzene;ethane

1,4-bis[1-(4-methylphenyl)ethenyl]benzene;ethane (PubChem CID 123373957) has the molecular formula C28H34 and a molecular weight of 370.58 g/mol. Its IUPAC name is 1,4-bis[1-(4-methylphenyl)ethenyl]benzene;ethane.

Molecular Properties

Compound Name1,4-bis[1-(4-methylphenyl)ethenyl]benzene;ethane
PubChem CID123373957
Molecular FormulaC28H34
Molecular Weight370.58 g/mol
Exact Mass370.27
IUPAC Name1,4-bis[1-(4-methylphenyl)ethenyl]benzene;ethane
SMILESC=C(c1ccc(C)cc1)c1ccc(C(=C)c2ccc(C)cc2)cc1.CC.CC
InChIInChI=1S/C24H22.2C2H6/c1-17-5-9-21(10-6-17)19(3)23-13-15-24(16-14-23)20(4)22-11-7-18(2)8-12-22;2*1-2/h5-16H,3-4H2,1-2H3;2*1-2H3
InChIKeyKEHCKURXNQIERQ-UHFFFAOYSA-N
XLogP8.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.58
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-[1-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 101368482
cyclobutane;ethane;1-methyl-4-prop-1-en-2-ylbenzene
CID 177043562
1-methyl-4-[4-[4-[4-[1-[4-(4-prop-1-en-2-ylphenoxy)phenyl]ethenyl]phenoxy]phenoxy]phenyl]benzene
CID 162199902
1-methyl-4-prop-1-en-2-ylbenzene
CID 90700010
1-methyl-4-(4-prop-1-en-2-ylphenyl)benzene
CID 20594776
1-[1-(4-methoxyphenyl)ethenyl]-4-[4-(4-methylphenyl)phenoxy]benzene
CID 162199896
ethane;methanol;1,4-xylene
CID 171074418
ethane;1-methyl-4-[3-(4-methylphenyl)but-2-en-2-yl]benzene
CID 91583110
1,3-difluoro-2-[1-(4-methylphenyl)ethenyl]benzene
CID 156698109
potassium 1-(4-methylphenyl)ethenolate
CID 101141531
2,5-dimethyl-1-[4-[1-(4-methylphenyl)ethenyl]phenyl]pyrrolidine
CID 21273052
1-methyl-4-[1-(4-methylphenyl)ethenyl]cyclohexa-1,2,3,5-tetraene
CID 58049615

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[1-(4-methylphenyl)ethenyl]benzene;ethane?
The IUPAC name of 1,4-bis[1-(4-methylphenyl)ethenyl]benzene;ethane (CID 123373957) is 1,4-bis[1-(4-methylphenyl)ethenyl]benzene;ethane.
What is the SMILES notation for 1,4-bis[1-(4-methylphenyl)ethenyl]benzene;ethane?
The canonical SMILES for 1,4-bis[1-(4-methylphenyl)ethenyl]benzene;ethane is C=C(c1ccc(C)cc1)c1ccc(C(=C)c2ccc(C)cc2)cc1.CC.CC.
What is the InChIKey of 1,4-bis[1-(4-methylphenyl)ethenyl]benzene;ethane?
The InChIKey is KEHCKURXNQIERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22.2C2H6/c1-17-5-9-21(10-6-17)19(3)23-13-15-24(16-14-23)20(4)22-11-7-18(2)8-12-22;2*1-2/h5-16H,3-4H2,1-2H3;2*1-2H3.
What are the key properties of 1,4-bis[1-(4-methylphenyl)ethenyl]benzene;ethane?
1,4-bis[1-(4-methylphenyl)ethenyl]benzene;ethane has a molecular weight of 370.58 g/mol, XLogP of 8.48, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[1-(4-methylphenyl)ethenyl]benzene;ethane is sourced from PubChem (CID 123373957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).