1-tert-butyl-4-(3-phenylprop-1-enyl)benzene

C19H22 — CID 71390379

IUPAC1-tert-butyl-4-(3-phenylprop-1-enyl)benzene
SMILESCC(C)(C)c1ccc(C=CCc2ccccc2)cc1
InChIInChI=1S/C19H22/c1-19(2,3)18-14-12-17(13-15-18)11-7-10-16-8-5-4-6-9-16/h4-9,11-15H,10H2,1-3H3
InChIKeyMONIWLMBXIXPNJ-UHFFFAOYSA-N
MW250.38 g/mol
LogP5.24
Rot. Bonds3

About 1-tert-butyl-4-(3-phenylprop-1-enyl)benzene

1-tert-butyl-4-(3-phenylprop-1-enyl)benzene (PubChem CID 71390379) has the molecular formula C19H22 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1-tert-butyl-4-(3-phenylprop-1-enyl)benzene.

Molecular Properties

Compound Name1-tert-butyl-4-(3-phenylprop-1-enyl)benzene
PubChem CID71390379
Molecular FormulaC19H22
Molecular Weight250.38 g/mol
Exact Mass250.17
IUPAC Name1-tert-butyl-4-(3-phenylprop-1-enyl)benzene
SMILESCC(C)(C)c1ccc(C=CCc2ccccc2)cc1
InChIInChI=1S/C19H22/c1-19(2,3)18-14-12-17(13-15-18)11-7-10-16-8-5-4-6-9-16/h4-9,11-15H,10H2,1-3H3
InChIKeyMONIWLMBXIXPNJ-UHFFFAOYSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.38
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;[(E)-3-phenylprop-1-enyl]benzene
CID 143041114
3-phenylprop-1-enylbenzene;tetrahydrofluoride
CID 174822249
1-methyl-4-[4-[(E)-3-phenylprop-1-enyl]phenyl]benzene
CID 144681083
N,N-dimethyl-4-[(E)-3-phenylprop-1-enyl]aniline
CID 10728588
1-[4-[(E)-3-phenylprop-1-enyl]phenyl]ethanone
CID 10633570
N-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]-N-methylaniline
CID 164888002
1-(3-bromoprop-1-enyl)-4-tert-butylbenzene
CID 79323485
1,4-bis[(Z)-2-(4-tert-butylphenyl)ethenyl]benzene
CID 102332044
2,6-ditert-butyl-4-(3-phenylprop-2-enyl)phenol
CID 54063316
benzyl (E)-3-(4-tert-butylphenyl)prop-2-enoate
CID 67918730
1-[2,3-dimethyl-3-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]butan-2-yl]-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 101407026
1-(bromomethyl)-4-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene
CID 10381897

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(3-phenylprop-1-enyl)benzene?
The IUPAC name of 1-tert-butyl-4-(3-phenylprop-1-enyl)benzene (CID 71390379) is 1-tert-butyl-4-(3-phenylprop-1-enyl)benzene.
What is the SMILES notation for 1-tert-butyl-4-(3-phenylprop-1-enyl)benzene?
The canonical SMILES for 1-tert-butyl-4-(3-phenylprop-1-enyl)benzene is CC(C)(C)c1ccc(C=CCc2ccccc2)cc1.
What is the InChIKey of 1-tert-butyl-4-(3-phenylprop-1-enyl)benzene?
The InChIKey is MONIWLMBXIXPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22/c1-19(2,3)18-14-12-17(13-15-18)11-7-10-16-8-5-4-6-9-16/h4-9,11-15H,10H2,1-3H3.
What are the key properties of 1-tert-butyl-4-(3-phenylprop-1-enyl)benzene?
1-tert-butyl-4-(3-phenylprop-1-enyl)benzene has a molecular weight of 250.38 g/mol, XLogP of 5.24, 3 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-phenylprop-1-enyl)benzene is sourced from PubChem (CID 71390379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).