1-methyl-4-phenyl-3-(2-phenylethenyl)-2-propoxybenzene

C24H24O — CID 69324908

IUPAC1-methyl-4-phenyl-3-(2-phenylethenyl)-2-propoxybenzene
SMILESCCCOc1c(C)ccc(-c2ccccc2)c1C=Cc1ccccc1
InChIInChI=1S/C24H24O/c1-3-18-25-24-19(2)14-16-22(21-12-8-5-9-13-21)23(24)17-15-20-10-6-4-7-11-20/h4-17H,3,18H2,1-2H3
InChIKeyBIEISNURRUXZON-UHFFFAOYSA-N
MW328.45 g/mol
LogP6.62
Rot. Bonds6

About 1-methyl-4-phenyl-3-(2-phenylethenyl)-2-propoxybenzene

1-methyl-4-phenyl-3-(2-phenylethenyl)-2-propoxybenzene (PubChem CID 69324908) has the molecular formula C24H24O and a molecular weight of 328.45 g/mol. Its IUPAC name is 1-methyl-4-phenyl-3-(2-phenylethenyl)-2-propoxybenzene.

Molecular Properties

Compound Name1-methyl-4-phenyl-3-(2-phenylethenyl)-2-propoxybenzene
PubChem CID69324908
Molecular FormulaC24H24O
Molecular Weight328.45 g/mol
Exact Mass328.18
IUPAC Name1-methyl-4-phenyl-3-(2-phenylethenyl)-2-propoxybenzene
SMILESCCCOc1c(C)ccc(-c2ccccc2)c1C=Cc1ccccc1
InChIInChI=1S/C24H24O/c1-3-18-25-24-19(2)14-16-22(21-12-8-5-9-13-21)23(24)17-15-20-10-6-4-7-11-20/h4-17H,3,18H2,1-2H3
InChIKeyBIEISNURRUXZON-UHFFFAOYSA-N
XLogP6.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.45
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenyl-3-(2-phenylethenyl)-2-propoxybenzene?
The IUPAC name of 1-methyl-4-phenyl-3-(2-phenylethenyl)-2-propoxybenzene (CID 69324908) is 1-methyl-4-phenyl-3-(2-phenylethenyl)-2-propoxybenzene.
What is the SMILES notation for 1-methyl-4-phenyl-3-(2-phenylethenyl)-2-propoxybenzene?
The canonical SMILES for 1-methyl-4-phenyl-3-(2-phenylethenyl)-2-propoxybenzene is CCCOc1c(C)ccc(-c2ccccc2)c1C=Cc1ccccc1.
What is the InChIKey of 1-methyl-4-phenyl-3-(2-phenylethenyl)-2-propoxybenzene?
The InChIKey is BIEISNURRUXZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O/c1-3-18-25-24-19(2)14-16-22(21-12-8-5-9-13-21)23(24)17-15-20-10-6-4-7-11-20/h4-17H,3,18H2,1-2H3.
What are the key properties of 1-methyl-4-phenyl-3-(2-phenylethenyl)-2-propoxybenzene?
1-methyl-4-phenyl-3-(2-phenylethenyl)-2-propoxybenzene has a molecular weight of 328.45 g/mol, XLogP of 6.62, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenyl-3-(2-phenylethenyl)-2-propoxybenzene is sourced from PubChem (CID 69324908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).