4-(1,1-diphenylbut-3-enyl)-1,2-dimethylbenzene

C24H24 — CID 71583153

IUPAC4-(1,1-diphenylbut-3-enyl)-1,2-dimethylbenzene
SMILESC=CCC(c1ccccc1)(c1ccccc1)c1ccc(C)c(C)c1
InChIInChI=1S/C24H24/c1-4-17-24(21-11-7-5-8-12-21,22-13-9-6-10-14-22)23-16-15-19(2)20(3)18-23/h4-16,18H,1,17H2,2-3H3
InChIKeyRPYNMPCSEQIRNK-UHFFFAOYSA-N
MW312.46 g/mol
LogP6.21
Rot. Bonds5

About 4-(1,1-diphenylbut-3-enyl)-1,2-dimethylbenzene

4-(1,1-diphenylbut-3-enyl)-1,2-dimethylbenzene (PubChem CID 71583153) has the molecular formula C24H24 and a molecular weight of 312.46 g/mol. Its IUPAC name is 4-(1,1-diphenylbut-3-enyl)-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-(1,1-diphenylbut-3-enyl)-1,2-dimethylbenzene
PubChem CID71583153
Molecular FormulaC24H24
Molecular Weight312.46 g/mol
Exact Mass312.19
IUPAC Name4-(1,1-diphenylbut-3-enyl)-1,2-dimethylbenzene
SMILESC=CCC(c1ccccc1)(c1ccccc1)c1ccc(C)c(C)c1
InChIInChI=1S/C24H24/c1-4-17-24(21-11-7-5-8-12-21,22-13-9-6-10-14-22)23-16-15-19(2)20(3)18-23/h4-16,18H,1,17H2,2-3H3
InChIKeyRPYNMPCSEQIRNK-UHFFFAOYSA-N
XLogP6.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.46
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-methyl-2-phenylpent-4-en-2-amine
CID 174778712
(2S)-2-methyl-2-phenylpent-4-enal
CID 10866831
4-propylhept-1-en-4-ylbenzene
CID 123221616
2,2-diphenylpent-4-enenitrile
CID 10681154
1-phenyl-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol
CID 15527575
4-[3-(3,4-dimethylphenyl)pentan-3-yl]-1,2-dimethylbenzene
CID 58775966
2-[(3,4-dimethylphenyl)-diphenylmethyl]sulfanylethanamine
CID 71583036
1-phenylbut-3-ene-1,1-diol
CID 134892936
4-(1,1-difluorobut-3-enyl)-2-methoxy-1-methylbenzene
CID 162555196
dilithium;1-phenylbut-3-ene-1,1-diolate
CID 134892935
[(2R)-2-prop-2-enoxypent-4-en-2-yl]benzene
CID 100966368
(1-methoxy-1-phenylbut-3-enyl)benzene;hydrate
CID 67237772

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-diphenylbut-3-enyl)-1,2-dimethylbenzene?
The IUPAC name of 4-(1,1-diphenylbut-3-enyl)-1,2-dimethylbenzene (CID 71583153) is 4-(1,1-diphenylbut-3-enyl)-1,2-dimethylbenzene.
What is the SMILES notation for 4-(1,1-diphenylbut-3-enyl)-1,2-dimethylbenzene?
The canonical SMILES for 4-(1,1-diphenylbut-3-enyl)-1,2-dimethylbenzene is C=CCC(c1ccccc1)(c1ccccc1)c1ccc(C)c(C)c1.
What is the InChIKey of 4-(1,1-diphenylbut-3-enyl)-1,2-dimethylbenzene?
The InChIKey is RPYNMPCSEQIRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24/c1-4-17-24(21-11-7-5-8-12-21,22-13-9-6-10-14-22)23-16-15-19(2)20(3)18-23/h4-16,18H,1,17H2,2-3H3.
What are the key properties of 4-(1,1-diphenylbut-3-enyl)-1,2-dimethylbenzene?
4-(1,1-diphenylbut-3-enyl)-1,2-dimethylbenzene has a molecular weight of 312.46 g/mol, XLogP of 6.21, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-diphenylbut-3-enyl)-1,2-dimethylbenzene is sourced from PubChem (CID 71583153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).