1-[(E,3S)-3-phenylbut-1-enyl]-4-propan-2-ylbenzene

C19H22 — CID 11288169

IUPAC1-[(E,3S)-3-phenylbut-1-enyl]-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(/C=C/[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C19H22/c1-15(2)18-13-11-17(12-14-18)10-9-16(3)19-7-5-4-6-8-19/h4-16H,1-3H3/b10-9+/t16-/m0/s1
InChIKeyGZAFDMRTONKIPN-SCOAYWHSSA-N
MW250.39 g/mol
LogP5.63
Rot. Bonds4

About 1-[(E,3S)-3-phenylbut-1-enyl]-4-propan-2-ylbenzene

1-[(E,3S)-3-phenylbut-1-enyl]-4-propan-2-ylbenzene (PubChem CID 11288169) has the molecular formula C19H22 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-[(E,3S)-3-phenylbut-1-enyl]-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-[(E,3S)-3-phenylbut-1-enyl]-4-propan-2-ylbenzene
PubChem CID11288169
Molecular FormulaC19H22
Molecular Weight250.39 g/mol
Exact Mass250.17
IUPAC Name1-[(E,3S)-3-phenylbut-1-enyl]-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(/C=C/[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C19H22/c1-15(2)18-13-11-17(12-14-18)10-9-16(3)19-7-5-4-6-8-19/h4-16H,1-3H3/b10-9+/t16-/m0/s1
InChIKeyGZAFDMRTONKIPN-SCOAYWHSSA-N
XLogP5.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.39
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-phenyl-4-[(E)-3-(4-phenylphenyl)but-1-enyl]benzene
CID 102073243
1-bromo-4-(3-phenylbut-1-enyl)benzene
CID 162347455
1-fluoro-4-[(E,3R)-3-phenylbut-1-enyl]benzene
CID 177383855
1-(2-phenylethenyl)-4-propan-2-ylbenzene
CID 53397765
1-methyl-4-[(E,2R)-4-phenylbut-3-en-2-yl]benzene
CID 102584248
1-chloro-4-[(E)-3-(4-chlorophenyl)but-1-enyl]benzene
CID 11425891
1-chloro-4-[3-(4-chlorophenyl)but-1-enyl]benzene
CID 71334740
1-(2-methylpropyl)-4-(3-phenylbut-1-enyl)benzene
CID 162348170
copper;cumene;manganese
CID 175691003
cumene
CID 161227923
benzene;cumene
CID 157215889
propan-2-ylcyclodecapentaene
CID 123508933

Frequently Asked Questions

What is the IUPAC name of 1-[(E,3S)-3-phenylbut-1-enyl]-4-propan-2-ylbenzene?
The IUPAC name of 1-[(E,3S)-3-phenylbut-1-enyl]-4-propan-2-ylbenzene (CID 11288169) is 1-[(E,3S)-3-phenylbut-1-enyl]-4-propan-2-ylbenzene.
What is the SMILES notation for 1-[(E,3S)-3-phenylbut-1-enyl]-4-propan-2-ylbenzene?
The canonical SMILES for 1-[(E,3S)-3-phenylbut-1-enyl]-4-propan-2-ylbenzene is CC(C)c1ccc(/C=C/[C@H](C)c2ccccc2)cc1.
What is the InChIKey of 1-[(E,3S)-3-phenylbut-1-enyl]-4-propan-2-ylbenzene?
The InChIKey is GZAFDMRTONKIPN-SCOAYWHSSA-N. The full InChI is InChI=1S/C19H22/c1-15(2)18-13-11-17(12-14-18)10-9-16(3)19-7-5-4-6-8-19/h4-16H,1-3H3/b10-9+/t16-/m0/s1.
What are the key properties of 1-[(E,3S)-3-phenylbut-1-enyl]-4-propan-2-ylbenzene?
1-[(E,3S)-3-phenylbut-1-enyl]-4-propan-2-ylbenzene has a molecular weight of 250.39 g/mol, XLogP of 5.63, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E,3S)-3-phenylbut-1-enyl]-4-propan-2-ylbenzene is sourced from PubChem (CID 11288169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).