prop-1-enylbenzene

C9H10 — CID 12500

IUPACprop-1-enylbenzene
SMILESCC=Cc1ccccc1
InChIInChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-8H,1H3
InChIKeyQROGIFZRVHSFLM-UHFFFAOYSA-N
MW118.18 g/mol
LogP2.72
Rot. Bonds1

About prop-1-enylbenzene

prop-1-enylbenzene (PubChem CID 12500) has the molecular formula C9H10 and a molecular weight of 118.18 g/mol. Its IUPAC name is prop-1-enylbenzene.

Molecular Properties

Compound Nameprop-1-enylbenzene
PubChem CID12500
Molecular FormulaC9H10
Molecular Weight118.18 g/mol
Exact Mass118.08
IUPAC Nameprop-1-enylbenzene
SMILESCC=Cc1ccccc1
InChIInChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-8H,1H3
InChIKeyQROGIFZRVHSFLM-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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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
P-Cymene
CID 7463
Indene
CID 7219
1,2,4-Trimethylbenzene
CID 7247

Frequently Asked Questions

What is the IUPAC name of prop-1-enylbenzene?
The IUPAC name of prop-1-enylbenzene (CID 12500) is prop-1-enylbenzene.
What is the SMILES notation for prop-1-enylbenzene?
The canonical SMILES for prop-1-enylbenzene is CC=Cc1ccccc1.
What is the InChIKey of prop-1-enylbenzene?
The InChIKey is QROGIFZRVHSFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-8H,1H3.
What are the key properties of prop-1-enylbenzene?
prop-1-enylbenzene 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-enylbenzene is sourced from PubChem (CID 12500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).