1-[bis(4-methylphenyl)methyl]-3-ethenylbenzene

C23H22 — CID 58982919

IUPAC1-[bis(4-methylphenyl)methyl]-3-ethenylbenzene
SMILESC=Cc1cccc(C(c2ccc(C)cc2)c2ccc(C)cc2)c1
InChIInChI=1S/C23H22/c1-4-19-6-5-7-22(16-19)23(20-12-8-17(2)9-13-20)21-14-10-18(3)11-15-21/h4-16,23H,1H2,2-3H3
InChIKeyOYTLRLSKRSSUFL-UHFFFAOYSA-N
MW298.43 g/mol
LogP6.13
Rot. Bonds4

About 1-[bis(4-methylphenyl)methyl]-3-ethenylbenzene

1-[bis(4-methylphenyl)methyl]-3-ethenylbenzene (PubChem CID 58982919) has the molecular formula C23H22 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-[bis(4-methylphenyl)methyl]-3-ethenylbenzene.

Molecular Properties

Compound Name1-[bis(4-methylphenyl)methyl]-3-ethenylbenzene
PubChem CID58982919
Molecular FormulaC23H22
Molecular Weight298.43 g/mol
Exact Mass298.17
IUPAC Name1-[bis(4-methylphenyl)methyl]-3-ethenylbenzene
SMILESC=Cc1cccc(C(c2ccc(C)cc2)c2ccc(C)cc2)c1
InChIInChI=1S/C23H22/c1-4-19-6-5-7-22(16-19)23(20-12-8-17(2)9-13-20)21-14-10-18(3)11-15-21/h4-16,23H,1H2,2-3H3
InChIKeyOYTLRLSKRSSUFL-UHFFFAOYSA-N
XLogP6.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-(dimethylamino)phenyl]-(3-ethenylphenyl)methyl]-N,N-dimethylaniline
CID 70462536
1-ethenyl-3-methylbenzene
CID 7529
1-ethenyl-3-(1-phenylethyl)benzene
CID 14750258
(1S)-1-amino-1-(3-ethenylphenyl)propan-2-ol
CID 131152404
1-(3-ethenylphenyl)-N-fluoroethanamine
CID 174901284
3-ethenylphenol;methanol;4-methylphenol
CID 144866816
1-ethenyl-4-methylbenzene;styrene
CID 159659441
N,4-dimethylaniline;1-ethenyl-3-methylbenzene
CID 142013646
1-amino-1-(3-ethenylphenyl)propan-2-one
CID 55291831
ethane;1-ethenyl-2-methylbenzene;1-ethenyl-3-propan-2-ylbenzene
CID 176998794
1-ethenyl-3-methylbenzene;sulfur dioxide
CID 157220077
styrene;1,2-xylene;1,3-xylene;1,4-xylene
CID 160527972

Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-methylphenyl)methyl]-3-ethenylbenzene?
The IUPAC name of 1-[bis(4-methylphenyl)methyl]-3-ethenylbenzene (CID 58982919) is 1-[bis(4-methylphenyl)methyl]-3-ethenylbenzene.
What is the SMILES notation for 1-[bis(4-methylphenyl)methyl]-3-ethenylbenzene?
The canonical SMILES for 1-[bis(4-methylphenyl)methyl]-3-ethenylbenzene is C=Cc1cccc(C(c2ccc(C)cc2)c2ccc(C)cc2)c1.
What is the InChIKey of 1-[bis(4-methylphenyl)methyl]-3-ethenylbenzene?
The InChIKey is OYTLRLSKRSSUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22/c1-4-19-6-5-7-22(16-19)23(20-12-8-17(2)9-13-20)21-14-10-18(3)11-15-21/h4-16,23H,1H2,2-3H3.
What are the key properties of 1-[bis(4-methylphenyl)methyl]-3-ethenylbenzene?
1-[bis(4-methylphenyl)methyl]-3-ethenylbenzene has a molecular weight of 298.43 g/mol, XLogP of 6.13, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-methylphenyl)methyl]-3-ethenylbenzene is sourced from PubChem (CID 58982919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).