1-ethenyl-3-(1-phenylethyl)benzene

C16H16 — CID 14750258

IUPAC1-ethenyl-3-(1-phenylethyl)benzene
SMILESC=Cc1cccc(C(C)c2ccccc2)c1
InChIInChI=1S/C16H16/c1-3-14-8-7-11-16(12-14)13(2)15-9-5-4-6-10-15/h3-13H,1H2,2H3
InChIKeyJHELRQYQDZWRQV-UHFFFAOYSA-N
MW208.30 g/mol
LogP4.48
Rot. Bonds3

About 1-ethenyl-3-(1-phenylethyl)benzene

1-ethenyl-3-(1-phenylethyl)benzene (PubChem CID 14750258) has the molecular formula C16H16 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-ethenyl-3-(1-phenylethyl)benzene.

Molecular Properties

Compound Name1-ethenyl-3-(1-phenylethyl)benzene
PubChem CID14750258
Molecular FormulaC16H16
Molecular Weight208.30 g/mol
Exact Mass208.13
IUPAC Name1-ethenyl-3-(1-phenylethyl)benzene
SMILESC=Cc1cccc(C(C)c2ccccc2)c1
InChIInChI=1S/C16H16/c1-3-14-8-7-11-16(12-14)13(2)15-9-5-4-6-10-15/h3-13H,1H2,2H3
InChIKeyJHELRQYQDZWRQV-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-(1-phenylethyl)benzene?
The IUPAC name of 1-ethenyl-3-(1-phenylethyl)benzene (CID 14750258) is 1-ethenyl-3-(1-phenylethyl)benzene.
What is the SMILES notation for 1-ethenyl-3-(1-phenylethyl)benzene?
The canonical SMILES for 1-ethenyl-3-(1-phenylethyl)benzene is C=Cc1cccc(C(C)c2ccccc2)c1.
What is the InChIKey of 1-ethenyl-3-(1-phenylethyl)benzene?
The InChIKey is JHELRQYQDZWRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16/c1-3-14-8-7-11-16(12-14)13(2)15-9-5-4-6-10-15/h3-13H,1H2,2H3.
What are the key properties of 1-ethenyl-3-(1-phenylethyl)benzene?
1-ethenyl-3-(1-phenylethyl)benzene has a molecular weight of 208.30 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-(1-phenylethyl)benzene is sourced from PubChem (CID 14750258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).