propylbenzene;hydrobromide

C9H13Br — CID 70024036

IUPACpropylbenzene;hydrobromide
SMILESBr.CCCc1ccccc1
InChIInChI=1S/C9H12.BrH/c1-2-6-9-7-4-3-5-8-9;/h3-5,7-8H,2,6H2,1H3;1H
InChIKeyFHPADMGARZUMOX-UHFFFAOYSA-N
MW201.11 g/mol
LogP3.22
Rot. Bonds2

About propylbenzene;hydrobromide

propylbenzene;hydrobromide (PubChem CID 70024036) has the molecular formula C9H13Br and a molecular weight of 201.11 g/mol. Its IUPAC name is propylbenzene;hydrobromide.

Molecular Properties

Compound Namepropylbenzene;hydrobromide
PubChem CID70024036
Molecular FormulaC9H13Br
Molecular Weight201.11 g/mol
Exact Mass200.02
IUPAC Namepropylbenzene;hydrobromide
SMILESBr.CCCc1ccccc1
InChIInChI=1S/C9H12.BrH/c1-2-6-9-7-4-3-5-8-9;/h3-5,7-8H,2,6H2,1H3;1H
InChIKeyFHPADMGARZUMOX-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.11
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 158382353
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CID 91154303
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Frequently Asked Questions

What is the IUPAC name of propylbenzene;hydrobromide?
The IUPAC name of propylbenzene;hydrobromide (CID 70024036) is propylbenzene;hydrobromide.
What is the SMILES notation for propylbenzene;hydrobromide?
The canonical SMILES for propylbenzene;hydrobromide is Br.CCCc1ccccc1.
What is the InChIKey of propylbenzene;hydrobromide?
The InChIKey is FHPADMGARZUMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.BrH/c1-2-6-9-7-4-3-5-8-9;/h3-5,7-8H,2,6H2,1H3;1H.
What are the key properties of propylbenzene;hydrobromide?
propylbenzene;hydrobromide has a molecular weight of 201.11 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for propylbenzene;hydrobromide is sourced from PubChem (CID 70024036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).