ethylbenzene

C8H10 — CID 7500

IUPACethylbenzene
SMILESCCc1ccccc1
InChIInChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyYNQLUTRBYVCPMQ-UHFFFAOYSA-N
MW106.17 g/mol
LogP2.25
Rot. Bonds1

About ethylbenzene

ethylbenzene (PubChem CID 7500) has the molecular formula C8H10 and a molecular weight of 106.17 g/mol. Its IUPAC name is ethylbenzene.

Molecular Properties

Compound Nameethylbenzene
PubChem CID7500
Molecular FormulaC8H10
Molecular Weight106.17 g/mol
Exact Mass106.08
IUPAC Nameethylbenzene
SMILESCCc1ccccc1
InChIInChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyYNQLUTRBYVCPMQ-UHFFFAOYSA-N
XLogP2.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.17
LogP ≤ 52.25
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
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
Cumene
CID 7406

Frequently Asked Questions

What is the IUPAC name of ethylbenzene?
The IUPAC name of ethylbenzene (CID 7500) is ethylbenzene.
What is the SMILES notation for ethylbenzene?
The canonical SMILES for ethylbenzene is CCc1ccccc1.
What is the InChIKey of ethylbenzene?
The InChIKey is YNQLUTRBYVCPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3.
What are the key properties of ethylbenzene?
ethylbenzene has a molecular weight of 106.17 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethylbenzene is sourced from PubChem (CID 7500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).