[1-(2-ethenylphenyl)-1-(2-methylphenyl)propyl] 2-methylprop-2-enoate

C22H24O2 — CID 118362475

IUPAC[1-(2-ethenylphenyl)-1-(2-methylphenyl)propyl] 2-methylprop-2-enoate
SMILESC=Cc1ccccc1C(CC)(OC(=O)C(=C)C)c1ccccc1C
InChIInChI=1S/C22H24O2/c1-6-18-13-9-11-15-20(18)22(7-2,24-21(23)16(3)4)19-14-10-8-12-17(19)5/h6,8-15H,1,3,7H2,2,4-5H3
InChIKeyNRDGUBICZQPVOR-UHFFFAOYSA-N
MW320.43 g/mol
LogP5.41
Rot. Bonds6

About [1-(2-ethenylphenyl)-1-(2-methylphenyl)propyl] 2-methylprop-2-enoate

[1-(2-ethenylphenyl)-1-(2-methylphenyl)propyl] 2-methylprop-2-enoate (PubChem CID 118362475) has the molecular formula C22H24O2 and a molecular weight of 320.43 g/mol. Its IUPAC name is [1-(2-ethenylphenyl)-1-(2-methylphenyl)propyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[1-(2-ethenylphenyl)-1-(2-methylphenyl)propyl] 2-methylprop-2-enoate
PubChem CID118362475
Molecular FormulaC22H24O2
Molecular Weight320.43 g/mol
Exact Mass320.18
IUPAC Name[1-(2-ethenylphenyl)-1-(2-methylphenyl)propyl] 2-methylprop-2-enoate
SMILESC=Cc1ccccc1C(CC)(OC(=O)C(=C)C)c1ccccc1C
InChIInChI=1S/C22H24O2/c1-6-18-13-9-11-15-20(18)22(7-2,24-21(23)16(3)4)19-14-10-8-12-17(19)5/h6,8-15H,1,3,7H2,2,4-5H3
InChIKeyNRDGUBICZQPVOR-UHFFFAOYSA-N
XLogP5.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.43
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(2-ethenylphenyl)-1-(2-methylphenyl)propyl] 2-methylprop-2-enoate?
The IUPAC name of [1-(2-ethenylphenyl)-1-(2-methylphenyl)propyl] 2-methylprop-2-enoate (CID 118362475) is [1-(2-ethenylphenyl)-1-(2-methylphenyl)propyl] 2-methylprop-2-enoate.
What is the SMILES notation for [1-(2-ethenylphenyl)-1-(2-methylphenyl)propyl] 2-methylprop-2-enoate?
The canonical SMILES for [1-(2-ethenylphenyl)-1-(2-methylphenyl)propyl] 2-methylprop-2-enoate is C=Cc1ccccc1C(CC)(OC(=O)C(=C)C)c1ccccc1C.
What is the InChIKey of [1-(2-ethenylphenyl)-1-(2-methylphenyl)propyl] 2-methylprop-2-enoate?
The InChIKey is NRDGUBICZQPVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O2/c1-6-18-13-9-11-15-20(18)22(7-2,24-21(23)16(3)4)19-14-10-8-12-17(19)5/h6,8-15H,1,3,7H2,2,4-5H3.
What are the key properties of [1-(2-ethenylphenyl)-1-(2-methylphenyl)propyl] 2-methylprop-2-enoate?
[1-(2-ethenylphenyl)-1-(2-methylphenyl)propyl] 2-methylprop-2-enoate has a molecular weight of 320.43 g/mol, XLogP of 5.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethenylphenyl)-1-(2-methylphenyl)propyl] 2-methylprop-2-enoate is sourced from PubChem (CID 118362475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).