[(1R,2S)-1-ethenyl-2-phenylbut-3-enyl]benzene

C18H18 — CID 12573330

IUPAC[(1R,2S)-1-ethenyl-2-phenylbut-3-enyl]benzene
SMILESC=C[C@H](c1ccccc1)[C@@H](C=C)c1ccccc1
InChIInChI=1S/C18H18/c1-3-17(15-11-7-5-8-12-15)18(4-2)16-13-9-6-10-14-16/h3-14,17-18H,1-2H2/t17-,18+
InChIKeyOOPCIDOIJKFFKD-HDICACEKSA-N
MW234.34 g/mol
LogP4.93
Rot. Bonds5

About [(1R,2S)-1-ethenyl-2-phenylbut-3-enyl]benzene

[(1R,2S)-1-ethenyl-2-phenylbut-3-enyl]benzene (PubChem CID 12573330) has the molecular formula C18H18 and a molecular weight of 234.34 g/mol. Its IUPAC name is [(1R,2S)-1-ethenyl-2-phenylbut-3-enyl]benzene.

Molecular Properties

Compound Name[(1R,2S)-1-ethenyl-2-phenylbut-3-enyl]benzene
PubChem CID12573330
Molecular FormulaC18H18
Molecular Weight234.34 g/mol
Exact Mass234.14
IUPAC Name[(1R,2S)-1-ethenyl-2-phenylbut-3-enyl]benzene
SMILESC=C[C@H](c1ccccc1)[C@@H](C=C)c1ccccc1
InChIInChI=1S/C18H18/c1-3-17(15-11-7-5-8-12-15)18(4-2)16-13-9-6-10-14-16/h3-14,17-18H,1-2H2/t17-,18+
InChIKeyOOPCIDOIJKFFKD-HDICACEKSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1-ethenyl-2-phenylpent-4-enyl)benzene
CID 175560840
penta-1,4-dien-3-ylbenzene
CID 15879286
(2S)-2-methyl-3-phenylpent-4-enoic acid
CID 70506498
(3S,4S)-3-phenylocta-1,7-dien-4-ol
CID 101442843
(2S,3R)-2-hydroxy-1,3-diphenylpent-4-en-1-one
CID 134968055
(2R,3S)-3-amino-2-phenylpent-4-enal
CID 170084967
CID 147982953
CID 147982953
1-chloroprop-2-enylbenzene
CID 11768772
[(1R)-1-chloroprop-2-enyl]benzene
CID 94848346
1-phenylprop-2-enyloxidanium
CID 135026196
benzene;1-phenylprop-2-en-1-ol
CID 174884403
1-iodoprop-2-enylbenzene
CID 21195039

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-1-ethenyl-2-phenylbut-3-enyl]benzene?
The IUPAC name of [(1R,2S)-1-ethenyl-2-phenylbut-3-enyl]benzene (CID 12573330) is [(1R,2S)-1-ethenyl-2-phenylbut-3-enyl]benzene.
What is the SMILES notation for [(1R,2S)-1-ethenyl-2-phenylbut-3-enyl]benzene?
The canonical SMILES for [(1R,2S)-1-ethenyl-2-phenylbut-3-enyl]benzene is C=C[C@H](c1ccccc1)[C@@H](C=C)c1ccccc1.
What is the InChIKey of [(1R,2S)-1-ethenyl-2-phenylbut-3-enyl]benzene?
The InChIKey is OOPCIDOIJKFFKD-HDICACEKSA-N. The full InChI is InChI=1S/C18H18/c1-3-17(15-11-7-5-8-12-15)18(4-2)16-13-9-6-10-14-16/h3-14,17-18H,1-2H2/t17-,18+.
What are the key properties of [(1R,2S)-1-ethenyl-2-phenylbut-3-enyl]benzene?
[(1R,2S)-1-ethenyl-2-phenylbut-3-enyl]benzene has a molecular weight of 234.34 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-1-ethenyl-2-phenylbut-3-enyl]benzene is sourced from PubChem (CID 12573330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).