1,2-diethylbenzene;hydrobromide

C10H15Br — CID 174973685

IUPAC1,2-diethylbenzene;hydrobromide
SMILESBr.CCc1ccccc1CC
InChIInChI=1S/C10H14.BrH/c1-3-9-7-5-6-8-10(9)4-2;/h5-8H,3-4H2,1-2H3;1H
InChIKeyFDOUWHBJZXPWQS-UHFFFAOYSA-N
MW215.13 g/mol
LogP3.39
Rot. Bonds2

About 1,2-diethylbenzene;hydrobromide

1,2-diethylbenzene;hydrobromide (PubChem CID 174973685) has the molecular formula C10H15Br and a molecular weight of 215.13 g/mol. Its IUPAC name is 1,2-diethylbenzene;hydrobromide.

Molecular Properties

Compound Name1,2-diethylbenzene;hydrobromide
PubChem CID174973685
Molecular FormulaC10H15Br
Molecular Weight215.13 g/mol
Exact Mass214.04
IUPAC Name1,2-diethylbenzene;hydrobromide
SMILESBr.CCc1ccccc1CC
InChIInChI=1S/C10H14.BrH/c1-3-9-7-5-6-8-10(9)4-2;/h5-8H,3-4H2,1-2H3;1H
InChIKeyFDOUWHBJZXPWQS-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.13
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,2-diethylbenzene;hydrobromide?
The IUPAC name of 1,2-diethylbenzene;hydrobromide (CID 174973685) is 1,2-diethylbenzene;hydrobromide.
What is the SMILES notation for 1,2-diethylbenzene;hydrobromide?
The canonical SMILES for 1,2-diethylbenzene;hydrobromide is Br.CCc1ccccc1CC.
What is the InChIKey of 1,2-diethylbenzene;hydrobromide?
The InChIKey is FDOUWHBJZXPWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.BrH/c1-3-9-7-5-6-8-10(9)4-2;/h5-8H,3-4H2,1-2H3;1H.
What are the key properties of 1,2-diethylbenzene;hydrobromide?
1,2-diethylbenzene;hydrobromide has a molecular weight of 215.13 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethylbenzene;hydrobromide is sourced from PubChem (CID 174973685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).