propylbenzene

C9H12 — CID 7668

IUPACpropylbenzene
SMILESCCCc1ccccc1
InChIInChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
InChIKeyODLMAHJVESYWTB-UHFFFAOYSA-N
MW120.19 g/mol
LogP2.64
Rot. Bonds2

About propylbenzene

propylbenzene (PubChem CID 7668) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is propylbenzene.

Molecular Properties

Compound Namepropylbenzene
PubChem CID7668
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Namepropylbenzene
SMILESCCCc1ccccc1
InChIInChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
InChIKeyODLMAHJVESYWTB-UHFFFAOYSA-N
XLogP2.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.19
LogP ≤ 52.64
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 propylbenzene?
The IUPAC name of propylbenzene (CID 7668) is propylbenzene.
What is the SMILES notation for propylbenzene?
The canonical SMILES for propylbenzene is CCCc1ccccc1.
What is the InChIKey of propylbenzene?
The InChIKey is ODLMAHJVESYWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3.
What are the key properties of propylbenzene?
propylbenzene has a molecular weight of 120.19 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for propylbenzene is sourced from PubChem (CID 7668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).