1-methoxy-5-(3-methylbut-2-enoxy)-2-(3-methylbut-2-enyl)-3-[(E)-2-phenylethenyl]benzene

C25H30O2 — CID 57413642

IUPAC1-methoxy-5-(3-methylbut-2-enoxy)-2-(3-methylbut-2-enyl)-3-[(E)-2-phenylethenyl]benzene
SMILESCOc1cc(OCC=C(C)C)cc(/C=C/c2ccccc2)c1CC=C(C)C
InChIInChI=1S/C25H30O2/c1-19(2)11-14-24-22(13-12-21-9-7-6-8-10-21)17-23(18-25(24)26-5)27-16-15-20(3)4/h6-13,15,17-18H,14,16H2,1-5H3/b13-12+
InChIKeyVPGQFHRLBQIVKN-OUKQBFOZSA-N
MW362.51 g/mol
LogP6.72
Rot. Bonds8

About 1-methoxy-5-(3-methylbut-2-enoxy)-2-(3-methylbut-2-enyl)-3-[(E)-2-phenylethenyl]benzene

1-methoxy-5-(3-methylbut-2-enoxy)-2-(3-methylbut-2-enyl)-3-[(E)-2-phenylethenyl]benzene (PubChem CID 57413642) has the molecular formula C25H30O2 and a molecular weight of 362.51 g/mol. Its IUPAC name is 1-methoxy-5-(3-methylbut-2-enoxy)-2-(3-methylbut-2-enyl)-3-[(E)-2-phenylethenyl]benzene.

Molecular Properties

Compound Name1-methoxy-5-(3-methylbut-2-enoxy)-2-(3-methylbut-2-enyl)-3-[(E)-2-phenylethenyl]benzene
PubChem CID57413642
Molecular FormulaC25H30O2
Molecular Weight362.51 g/mol
Exact Mass362.22
IUPAC Name1-methoxy-5-(3-methylbut-2-enoxy)-2-(3-methylbut-2-enyl)-3-[(E)-2-phenylethenyl]benzene
SMILESCOc1cc(OCC=C(C)C)cc(/C=C/c2ccccc2)c1CC=C(C)C
InChIInChI=1S/C25H30O2/c1-19(2)11-14-24-22(13-12-21-9-7-6-8-10-21)17-23(18-25(24)26-5)27-16-15-20(3)4/h6-13,15,17-18H,14,16H2,1-5H3/b13-12+
InChIKeyVPGQFHRLBQIVKN-OUKQBFOZSA-N
XLogP6.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.51
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methoxy-5-(3-methylbut-2-enoxy)-2-(3-methylbut-2-enyl)-3-[(E)-2-phenylethenyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-5-(3-methylbut-2-enoxy)-2-(3-methylbut-2-enyl)-3-[(E)-2-phenylethenyl]benzene?
The IUPAC name of 1-methoxy-5-(3-methylbut-2-enoxy)-2-(3-methylbut-2-enyl)-3-[(E)-2-phenylethenyl]benzene (CID 57413642) is 1-methoxy-5-(3-methylbut-2-enoxy)-2-(3-methylbut-2-enyl)-3-[(E)-2-phenylethenyl]benzene.
What is the SMILES notation for 1-methoxy-5-(3-methylbut-2-enoxy)-2-(3-methylbut-2-enyl)-3-[(E)-2-phenylethenyl]benzene?
The canonical SMILES for 1-methoxy-5-(3-methylbut-2-enoxy)-2-(3-methylbut-2-enyl)-3-[(E)-2-phenylethenyl]benzene is COc1cc(OCC=C(C)C)cc(/C=C/c2ccccc2)c1CC=C(C)C.
What is the InChIKey of 1-methoxy-5-(3-methylbut-2-enoxy)-2-(3-methylbut-2-enyl)-3-[(E)-2-phenylethenyl]benzene?
The InChIKey is VPGQFHRLBQIVKN-OUKQBFOZSA-N. The full InChI is InChI=1S/C25H30O2/c1-19(2)11-14-24-22(13-12-21-9-7-6-8-10-21)17-23(18-25(24)26-5)27-16-15-20(3)4/h6-13,15,17-18H,14,16H2,1-5H3/b13-12+.
What are the key properties of 1-methoxy-5-(3-methylbut-2-enoxy)-2-(3-methylbut-2-enyl)-3-[(E)-2-phenylethenyl]benzene?
1-methoxy-5-(3-methylbut-2-enoxy)-2-(3-methylbut-2-enyl)-3-[(E)-2-phenylethenyl]benzene has a molecular weight of 362.51 g/mol, XLogP of 6.72, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-5-(3-methylbut-2-enoxy)-2-(3-methylbut-2-enyl)-3-[(E)-2-phenylethenyl]benzene is sourced from PubChem (CID 57413642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).