1-[1-ethyl-1-(4-methylphenyl)-2-propan-2-yloxyprop-2-enyl]-4-propan-2-ylbenzene

C24H32O — CID 145215069

IUPAC1-[1-ethyl-1-(4-methylphenyl)-2-propan-2-yloxyprop-2-enyl]-4-propan-2-ylbenzene
SMILESC=C(OC(C)C)C(CC)(c1ccc(C)cc1)c1ccc(C(C)C)cc1
InChIInChI=1S/C24H32O/c1-8-24(20(7)25-18(4)5,22-13-9-19(6)10-14-22)23-15-11-21(12-16-23)17(2)3/h9-18H,7-8H2,1-6H3
InChIKeyJVIQPOCUMKCJDT-UHFFFAOYSA-N
MW336.52 g/mol
LogP6.75
Rot. Bonds7

About 1-[1-ethyl-1-(4-methylphenyl)-2-propan-2-yloxyprop-2-enyl]-4-propan-2-ylbenzene

1-[1-ethyl-1-(4-methylphenyl)-2-propan-2-yloxyprop-2-enyl]-4-propan-2-ylbenzene (PubChem CID 145215069) has the molecular formula C24H32O and a molecular weight of 336.52 g/mol. Its IUPAC name is 1-[1-ethyl-1-(4-methylphenyl)-2-propan-2-yloxyprop-2-enyl]-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-[1-ethyl-1-(4-methylphenyl)-2-propan-2-yloxyprop-2-enyl]-4-propan-2-ylbenzene
PubChem CID145215069
Molecular FormulaC24H32O
Molecular Weight336.52 g/mol
Exact Mass336.25
IUPAC Name1-[1-ethyl-1-(4-methylphenyl)-2-propan-2-yloxyprop-2-enyl]-4-propan-2-ylbenzene
SMILESC=C(OC(C)C)C(CC)(c1ccc(C)cc1)c1ccc(C(C)C)cc1
InChIInChI=1S/C24H32O/c1-8-24(20(7)25-18(4)5,22-13-9-19(6)10-14-22)23-15-11-21(12-16-23)17(2)3/h9-18H,7-8H2,1-6H3
InChIKeyJVIQPOCUMKCJDT-UHFFFAOYSA-N
XLogP6.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.52
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-ethyl-1-(4-methylphenyl)-2-propan-2-yloxyprop-2-enyl]-4-propan-2-ylbenzene?
The IUPAC name of 1-[1-ethyl-1-(4-methylphenyl)-2-propan-2-yloxyprop-2-enyl]-4-propan-2-ylbenzene (CID 145215069) is 1-[1-ethyl-1-(4-methylphenyl)-2-propan-2-yloxyprop-2-enyl]-4-propan-2-ylbenzene.
What is the SMILES notation for 1-[1-ethyl-1-(4-methylphenyl)-2-propan-2-yloxyprop-2-enyl]-4-propan-2-ylbenzene?
The canonical SMILES for 1-[1-ethyl-1-(4-methylphenyl)-2-propan-2-yloxyprop-2-enyl]-4-propan-2-ylbenzene is C=C(OC(C)C)C(CC)(c1ccc(C)cc1)c1ccc(C(C)C)cc1.
What is the InChIKey of 1-[1-ethyl-1-(4-methylphenyl)-2-propan-2-yloxyprop-2-enyl]-4-propan-2-ylbenzene?
The InChIKey is JVIQPOCUMKCJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O/c1-8-24(20(7)25-18(4)5,22-13-9-19(6)10-14-22)23-15-11-21(12-16-23)17(2)3/h9-18H,7-8H2,1-6H3.
What are the key properties of 1-[1-ethyl-1-(4-methylphenyl)-2-propan-2-yloxyprop-2-enyl]-4-propan-2-ylbenzene?
1-[1-ethyl-1-(4-methylphenyl)-2-propan-2-yloxyprop-2-enyl]-4-propan-2-ylbenzene has a molecular weight of 336.52 g/mol, XLogP of 6.75, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-ethyl-1-(4-methylphenyl)-2-propan-2-yloxyprop-2-enyl]-4-propan-2-ylbenzene is sourced from PubChem (CID 145215069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).