prop-1-en-2-ylbenzene

C9H10 — CID 7407

IUPACprop-1-en-2-ylbenzene
SMILESC=C(C)c1ccccc1
InChIInChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3
InChIKeyXYLMUPLGERFSHI-UHFFFAOYSA-N
MW118.18 g/mol
LogP2.72
Rot. Bonds1

About prop-1-en-2-ylbenzene

prop-1-en-2-ylbenzene (PubChem CID 7407) has the molecular formula C9H10 and a molecular weight of 118.18 g/mol. Its IUPAC name is prop-1-en-2-ylbenzene.

Molecular Properties

Compound Nameprop-1-en-2-ylbenzene
PubChem CID7407
Molecular FormulaC9H10
Molecular Weight118.18 g/mol
Exact Mass118.08
IUPAC Nameprop-1-en-2-ylbenzene
SMILESC=C(C)c1ccccc1
InChIInChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3
InChIKeyXYLMUPLGERFSHI-UHFFFAOYSA-N
XLogP2.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-ylbenzene?
The IUPAC name of prop-1-en-2-ylbenzene (CID 7407) 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.
What is the InChIKey of prop-1-en-2-ylbenzene?
The InChIKey is XYLMUPLGERFSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3.
What are the key properties of prop-1-en-2-ylbenzene?
prop-1-en-2-ylbenzene has a molecular weight of 118.18 g/mol, XLogP of 2.72, 1 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 7407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).