1-tert-butyl-3-(4-ethenylphenoxy)benzene

C18H20O — CID 155466974

IUPAC1-tert-butyl-3-(4-ethenylphenoxy)benzene
SMILESC=Cc1ccc(Oc2cccc(C(C)(C)C)c2)cc1
InChIInChI=1S/C18H20O/c1-5-14-9-11-16(12-10-14)19-17-8-6-7-15(13-17)18(2,3)4/h5-13H,1H2,2-4H3
InChIKeyRVCZKNHMPVZFKX-UHFFFAOYSA-N
MW252.36 g/mol
LogP5.42
Rot. Bonds3

About 1-tert-butyl-3-(4-ethenylphenoxy)benzene

1-tert-butyl-3-(4-ethenylphenoxy)benzene (PubChem CID 155466974) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-tert-butyl-3-(4-ethenylphenoxy)benzene.

Molecular Properties

Compound Name1-tert-butyl-3-(4-ethenylphenoxy)benzene
PubChem CID155466974
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name1-tert-butyl-3-(4-ethenylphenoxy)benzene
SMILESC=Cc1ccc(Oc2cccc(C(C)(C)C)c2)cc1
InChIInChI=1S/C18H20O/c1-5-14-9-11-16(12-10-14)19-17-8-6-7-15(13-17)18(2,3)4/h5-13H,1H2,2-4H3
InChIKeyRVCZKNHMPVZFKX-UHFFFAOYSA-N
XLogP5.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.36
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-tert-butyl-3-(4-ethenylphenoxy)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-tert-butyl-3-(4-ethenylphenoxy)benzene?
The IUPAC name of 1-tert-butyl-3-(4-ethenylphenoxy)benzene (CID 155466974) is 1-tert-butyl-3-(4-ethenylphenoxy)benzene.
What is the SMILES notation for 1-tert-butyl-3-(4-ethenylphenoxy)benzene?
The canonical SMILES for 1-tert-butyl-3-(4-ethenylphenoxy)benzene is C=Cc1ccc(Oc2cccc(C(C)(C)C)c2)cc1.
What is the InChIKey of 1-tert-butyl-3-(4-ethenylphenoxy)benzene?
The InChIKey is RVCZKNHMPVZFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-5-14-9-11-16(12-10-14)19-17-8-6-7-15(13-17)18(2,3)4/h5-13H,1H2,2-4H3.
What are the key properties of 1-tert-butyl-3-(4-ethenylphenoxy)benzene?
1-tert-butyl-3-(4-ethenylphenoxy)benzene has a molecular weight of 252.36 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(4-ethenylphenoxy)benzene is sourced from PubChem (CID 155466974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).