1-(2-phenylethenyl)-4-propan-2-ylbenzene

C17H18 — CID 53397765

IUPAC1-(2-phenylethenyl)-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(C=Cc2ccccc2)cc1
InChIInChI=1S/C17H18/c1-14(2)17-12-10-16(11-13-17)9-8-15-6-4-3-5-7-15/h3-14H,1-2H3
InChIKeySYHLZZJWGVXLLZ-UHFFFAOYSA-N
MW222.33 g/mol
LogP4.98
Rot. Bonds3

About 1-(2-phenylethenyl)-4-propan-2-ylbenzene

1-(2-phenylethenyl)-4-propan-2-ylbenzene (PubChem CID 53397765) has the molecular formula C17H18 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(2-phenylethenyl)-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(2-phenylethenyl)-4-propan-2-ylbenzene
PubChem CID53397765
Molecular FormulaC17H18
Molecular Weight222.33 g/mol
Exact Mass222.14
IUPAC Name1-(2-phenylethenyl)-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(C=Cc2ccccc2)cc1
InChIInChI=1S/C17H18/c1-14(2)17-12-10-16(11-13-17)9-8-15-6-4-3-5-7-15/h3-14H,1-2H3
InChIKeySYHLZZJWGVXLLZ-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[(E,3S)-3-phenylbut-1-enyl]-4-propan-2-ylbenzene
CID 11288169
N-(4-butan-2-ylphenyl)-4-(2-phenylethenyl)-N-(4-propan-2-ylphenyl)aniline
CID 89097686
4-[(E)-2-[3,5-bis[(E)-2-[4-(N-(4-propan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline
CID 58596504
4-[(E)-2-(4-propan-2-ylphenyl)ethenyl]phenol
CID 122603280
1-benzhydryl-4-(2-phenylethenyl)benzene
CID 90954362
N,N-bis(4-propan-2-ylphenyl)-4-[(E)-2-[4-[(E)-2-[4-(4-propan-2-yl-N-(4-propan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 22900193
benzene;cumene
CID 157215889
cumene
CID 161227923
propan-2-ylcyclodecapentaene
CID 123508933
1-methyl-4-[(E)-2-(4-propan-2-ylphenyl)ethenyl]pyridin-1-ium
CID 129309736
2-[(E)-2-(4-propan-2-ylphenyl)ethenyl]furan
CID 100992434
3-phenylprop-2-enoic acid;1-(4-propan-2-ylphenyl)ethanamine
CID 70475958

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethenyl)-4-propan-2-ylbenzene?
The IUPAC name of 1-(2-phenylethenyl)-4-propan-2-ylbenzene (CID 53397765) is 1-(2-phenylethenyl)-4-propan-2-ylbenzene.
What is the SMILES notation for 1-(2-phenylethenyl)-4-propan-2-ylbenzene?
The canonical SMILES for 1-(2-phenylethenyl)-4-propan-2-ylbenzene is CC(C)c1ccc(C=Cc2ccccc2)cc1.
What is the InChIKey of 1-(2-phenylethenyl)-4-propan-2-ylbenzene?
The InChIKey is SYHLZZJWGVXLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18/c1-14(2)17-12-10-16(11-13-17)9-8-15-6-4-3-5-7-15/h3-14H,1-2H3.
What are the key properties of 1-(2-phenylethenyl)-4-propan-2-ylbenzene?
1-(2-phenylethenyl)-4-propan-2-ylbenzene has a molecular weight of 222.33 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethenyl)-4-propan-2-ylbenzene is sourced from PubChem (CID 53397765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).