1-tert-butyl-4-(3-phenylpropa-1,2-dienyl)benzene

C19H20 — CID 101460715

IUPAC1-tert-butyl-4-(3-phenylpropa-1,2-dienyl)benzene
SMILESCC(C)(C)c1ccc(C=C=Cc2ccccc2)cc1
InChIInChI=1S/C19H20/c1-19(2,3)18-14-12-17(13-15-18)11-7-10-16-8-5-4-6-9-16/h4-6,8-15H,1-3H3
InChIKeyQVDWYEKOINNRAY-UHFFFAOYSA-N
MW248.37 g/mol
LogP5.31
Rot. Bonds2

About 1-tert-butyl-4-(3-phenylpropa-1,2-dienyl)benzene

1-tert-butyl-4-(3-phenylpropa-1,2-dienyl)benzene (PubChem CID 101460715) has the molecular formula C19H20 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-tert-butyl-4-(3-phenylpropa-1,2-dienyl)benzene.

Molecular Properties

Compound Name1-tert-butyl-4-(3-phenylpropa-1,2-dienyl)benzene
PubChem CID101460715
Molecular FormulaC19H20
Molecular Weight248.37 g/mol
Exact Mass248.16
IUPAC Name1-tert-butyl-4-(3-phenylpropa-1,2-dienyl)benzene
SMILESCC(C)(C)c1ccc(C=C=Cc2ccccc2)cc1
InChIInChI=1S/C19H20/c1-19(2,3)18-14-12-17(13-15-18)11-7-10-16-8-5-4-6-9-16/h4-6,8-15H,1-3H3
InChIKeyQVDWYEKOINNRAY-UHFFFAOYSA-N
XLogP5.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.37
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(3-phenylpropa-1,2-dienyl)benzene?
The IUPAC name of 1-tert-butyl-4-(3-phenylpropa-1,2-dienyl)benzene (CID 101460715) is 1-tert-butyl-4-(3-phenylpropa-1,2-dienyl)benzene.
What is the SMILES notation for 1-tert-butyl-4-(3-phenylpropa-1,2-dienyl)benzene?
The canonical SMILES for 1-tert-butyl-4-(3-phenylpropa-1,2-dienyl)benzene is CC(C)(C)c1ccc(C=C=Cc2ccccc2)cc1.
What is the InChIKey of 1-tert-butyl-4-(3-phenylpropa-1,2-dienyl)benzene?
The InChIKey is QVDWYEKOINNRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20/c1-19(2,3)18-14-12-17(13-15-18)11-7-10-16-8-5-4-6-9-16/h4-6,8-15H,1-3H3.
What are the key properties of 1-tert-butyl-4-(3-phenylpropa-1,2-dienyl)benzene?
1-tert-butyl-4-(3-phenylpropa-1,2-dienyl)benzene has a molecular weight of 248.37 g/mol, XLogP of 5.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(3-phenylpropa-1,2-dienyl)benzene is sourced from PubChem (CID 101460715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).