4-[3,4-bis(prop-1-en-2-yl)phenyl]-1,2-bis(prop-1-en-2-yl)benzene

C24H26 — CID 176568889

IUPAC4-[3,4-bis(prop-1-en-2-yl)phenyl]-1,2-bis(prop-1-en-2-yl)benzene
SMILESC=C(C)c1ccc(-c2ccc(C(=C)C)c(C(=C)C)c2)cc1C(=C)C
InChIInChI=1S/C24H26/c1-15(2)21-11-9-19(13-23(21)17(5)6)20-10-12-22(16(3)4)24(14-20)18(7)8/h9-14H,1,3,5,7H2,2,4,6,8H3
InChIKeyZTWTVMACYLNNIZ-UHFFFAOYSA-N
MW314.47 g/mol
LogP7.49
Rot. Bonds5

About 4-[3,4-bis(prop-1-en-2-yl)phenyl]-1,2-bis(prop-1-en-2-yl)benzene

4-[3,4-bis(prop-1-en-2-yl)phenyl]-1,2-bis(prop-1-en-2-yl)benzene (PubChem CID 176568889) has the molecular formula C24H26 and a molecular weight of 314.47 g/mol. Its IUPAC name is 4-[3,4-bis(prop-1-en-2-yl)phenyl]-1,2-bis(prop-1-en-2-yl)benzene.

Molecular Properties

Compound Name4-[3,4-bis(prop-1-en-2-yl)phenyl]-1,2-bis(prop-1-en-2-yl)benzene
PubChem CID176568889
Molecular FormulaC24H26
Molecular Weight314.47 g/mol
Exact Mass314.20
IUPAC Name4-[3,4-bis(prop-1-en-2-yl)phenyl]-1,2-bis(prop-1-en-2-yl)benzene
SMILESC=C(C)c1ccc(-c2ccc(C(=C)C)c(C(=C)C)c2)cc1C(=C)C
InChIInChI=1S/C24H26/c1-15(2)21-11-9-19(13-23(21)17(5)6)20-10-12-22(16(3)4)24(14-20)18(7)8/h9-14H,1,3,5,7H2,2,4,6,8H3
InChIKeyZTWTVMACYLNNIZ-UHFFFAOYSA-N
XLogP7.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.47
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-[3,4-bis(prop-1-en-2-yl)phenyl]-1,2-bis(prop-1-en-2-yl)benzene?
The IUPAC name of 4-[3,4-bis(prop-1-en-2-yl)phenyl]-1,2-bis(prop-1-en-2-yl)benzene (CID 176568889) is 4-[3,4-bis(prop-1-en-2-yl)phenyl]-1,2-bis(prop-1-en-2-yl)benzene.
What is the SMILES notation for 4-[3,4-bis(prop-1-en-2-yl)phenyl]-1,2-bis(prop-1-en-2-yl)benzene?
The canonical SMILES for 4-[3,4-bis(prop-1-en-2-yl)phenyl]-1,2-bis(prop-1-en-2-yl)benzene is C=C(C)c1ccc(-c2ccc(C(=C)C)c(C(=C)C)c2)cc1C(=C)C.
What is the InChIKey of 4-[3,4-bis(prop-1-en-2-yl)phenyl]-1,2-bis(prop-1-en-2-yl)benzene?
The InChIKey is ZTWTVMACYLNNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26/c1-15(2)21-11-9-19(13-23(21)17(5)6)20-10-12-22(16(3)4)24(14-20)18(7)8/h9-14H,1,3,5,7H2,2,4,6,8H3.
What are the key properties of 4-[3,4-bis(prop-1-en-2-yl)phenyl]-1,2-bis(prop-1-en-2-yl)benzene?
4-[3,4-bis(prop-1-en-2-yl)phenyl]-1,2-bis(prop-1-en-2-yl)benzene has a molecular weight of 314.47 g/mol, XLogP of 7.49, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,4-bis(prop-1-en-2-yl)phenyl]-1,2-bis(prop-1-en-2-yl)benzene is sourced from PubChem (CID 176568889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).