1-[4,4-bis(4-methylphenyl)but-3-en-2-yl]-4-chlorobenzene

C24H23Cl — CID 54597344

IUPAC1-[4,4-bis(4-methylphenyl)but-3-en-2-yl]-4-chlorobenzene
SMILESCc1ccc(C(=CC(C)c2ccc(Cl)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H23Cl/c1-17-4-8-21(9-5-17)24(22-10-6-18(2)7-11-22)16-19(3)20-12-14-23(25)15-13-20/h4-16,19H,1-3H3
InChIKeyXMHYPBMYQNLXPN-UHFFFAOYSA-N
MW346.90 g/mol
LogP7.19
Rot. Bonds4

About 1-[4,4-bis(4-methylphenyl)but-3-en-2-yl]-4-chlorobenzene

1-[4,4-bis(4-methylphenyl)but-3-en-2-yl]-4-chlorobenzene (PubChem CID 54597344) has the molecular formula C24H23Cl and a molecular weight of 346.90 g/mol. Its IUPAC name is 1-[4,4-bis(4-methylphenyl)but-3-en-2-yl]-4-chlorobenzene.

Molecular Properties

Compound Name1-[4,4-bis(4-methylphenyl)but-3-en-2-yl]-4-chlorobenzene
PubChem CID54597344
Molecular FormulaC24H23Cl
Molecular Weight346.90 g/mol
Exact Mass346.15
IUPAC Name1-[4,4-bis(4-methylphenyl)but-3-en-2-yl]-4-chlorobenzene
SMILESCc1ccc(C(=CC(C)c2ccc(Cl)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H23Cl/c1-17-4-8-21(9-5-17)24(22-10-6-18(2)7-11-22)16-19(3)20-12-14-23(25)15-13-20/h4-16,19H,1-3H3
InChIKeyXMHYPBMYQNLXPN-UHFFFAOYSA-N
XLogP7.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.90
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-4-[1-chloro-3-(4-methylphenyl)but-1-enyl]benzene
CID 74928285
1-methyl-4-(4-phenylpent-3-en-2-yl)benzene
CID 173216306
2-[2-(4-chlorophenyl)propylidene]propanedinitrile
CID 11413295
(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81355634
(E)-2-methyl-4-(4-methylphenyl)pent-2-en-1-ol
CID 90431836
[(4-chlorophenyl)-(4-methylphenyl)methylidene]zirconium(2+)
CID 87101615
1-chloro-4-methylbenzene;zinc
CID 174694335
1,3-bis(4-chlorophenyl)-5-(4-methylphenyl)pentane-1,5-dione
CID 66572947
1-chloro-4-methylbenzene;formic acid
CID 158103199
S-[(4-chlorophenyl)-hydroxymethyl] 4-methylbenzenecarbothioate
CID 143323138
N-[4-[2,2-bis(4-chlorophenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 71096918
1-[(1Z,4E)-1,5-dichloro-1,5-bis(4-methylphenyl)penta-1,4-dien-3-yl]-4-methylbenzene
CID 15526799

Frequently Asked Questions

What is the IUPAC name of 1-[4,4-bis(4-methylphenyl)but-3-en-2-yl]-4-chlorobenzene?
The IUPAC name of 1-[4,4-bis(4-methylphenyl)but-3-en-2-yl]-4-chlorobenzene (CID 54597344) is 1-[4,4-bis(4-methylphenyl)but-3-en-2-yl]-4-chlorobenzene.
What is the SMILES notation for 1-[4,4-bis(4-methylphenyl)but-3-en-2-yl]-4-chlorobenzene?
The canonical SMILES for 1-[4,4-bis(4-methylphenyl)but-3-en-2-yl]-4-chlorobenzene is Cc1ccc(C(=CC(C)c2ccc(Cl)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-[4,4-bis(4-methylphenyl)but-3-en-2-yl]-4-chlorobenzene?
The InChIKey is XMHYPBMYQNLXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl/c1-17-4-8-21(9-5-17)24(22-10-6-18(2)7-11-22)16-19(3)20-12-14-23(25)15-13-20/h4-16,19H,1-3H3.
What are the key properties of 1-[4,4-bis(4-methylphenyl)but-3-en-2-yl]-4-chlorobenzene?
1-[4,4-bis(4-methylphenyl)but-3-en-2-yl]-4-chlorobenzene has a molecular weight of 346.90 g/mol, XLogP of 7.19, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,4-bis(4-methylphenyl)but-3-en-2-yl]-4-chlorobenzene is sourced from PubChem (CID 54597344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).