prop-1-en-2-ylbenzene

C18H20 — CID 22521

IUPACprop-1-en-2-ylbenzene
SMILESC=C(C)c1ccccc1.C=C(C)c1ccccc1
InChIInChI=1S/2C9H10/c2*1-8(2)9-6-4-3-5-7-9/h2*3-7H,1H2,2H3
InChIKeyFZYCEURIEDTWNS-UHFFFAOYSA-N
MW236.36 g/mol
LogP5.44
Rot. Bonds2

About prop-1-en-2-ylbenzene

prop-1-en-2-ylbenzene (PubChem CID 22521) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is prop-1-en-2-ylbenzene.

Molecular Properties

Compound Nameprop-1-en-2-ylbenzene
PubChem CID22521
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Nameprop-1-en-2-ylbenzene
SMILESC=C(C)c1ccccc1.C=C(C)c1ccccc1
InChIInChI=1S/2C9H10/c2*1-8(2)9-6-4-3-5-7-9/h2*3-7H,1H2,2H3
InChIKeyFZYCEURIEDTWNS-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.36
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Biphenyl
CID 7095
Toluene
CID 1140
O-Xylene
CID 7237
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
M-Xylene
CID 7929
P-Xylene
CID 7809
Tetralin
CID 8404
Cumene
CID 7406
Butylbenzene
CID 7705
1-Ethenyl-4-methylbenzene
CID 12161

Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-ylbenzene?
The IUPAC name of prop-1-en-2-ylbenzene (CID 22521) is prop-1-en-2-ylbenzene.
What is the SMILES notation for prop-1-en-2-ylbenzene?
The canonical SMILES for prop-1-en-2-ylbenzene is C=C(C)c1ccccc1.C=C(C)c1ccccc1.
What is the InChIKey of prop-1-en-2-ylbenzene?
The InChIKey is FZYCEURIEDTWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H10/c2*1-8(2)9-6-4-3-5-7-9/h2*3-7H,1H2,2H3.
What are the key properties of prop-1-en-2-ylbenzene?
prop-1-en-2-ylbenzene has a molecular weight of 236.36 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-ylbenzene is sourced from PubChem (CID 22521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).