1-bromo-2-propylbenzene

C9H11Br — CID 15748977

IUPAC1-bromo-2-propylbenzene
SMILESCCCc1ccccc1Br
InChIInChI=1S/C9H11Br/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7H,2,5H2,1H3
InChIKeySRXJZMLETPOSSJ-UHFFFAOYSA-N
MW199.09 g/mol
LogP3.40
Rot. Bonds2

About 1-bromo-2-propylbenzene

1-bromo-2-propylbenzene (PubChem CID 15748977) has the molecular formula C9H11Br and a molecular weight of 199.09 g/mol. Its IUPAC name is 1-bromo-2-propylbenzene.

Molecular Properties

Compound Name1-bromo-2-propylbenzene
PubChem CID15748977
Molecular FormulaC9H11Br
Molecular Weight199.09 g/mol
Exact Mass198.00
IUPAC Name1-bromo-2-propylbenzene
SMILESCCCc1ccccc1Br
InChIInChI=1S/C9H11Br/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7H,2,5H2,1H3
InChIKeySRXJZMLETPOSSJ-UHFFFAOYSA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.09
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-propylbenzene?
The IUPAC name of 1-bromo-2-propylbenzene (CID 15748977) is 1-bromo-2-propylbenzene.
What is the SMILES notation for 1-bromo-2-propylbenzene?
The canonical SMILES for 1-bromo-2-propylbenzene is CCCc1ccccc1Br.
What is the InChIKey of 1-bromo-2-propylbenzene?
The InChIKey is SRXJZMLETPOSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7H,2,5H2,1H3.
What are the key properties of 1-bromo-2-propylbenzene?
1-bromo-2-propylbenzene has a molecular weight of 199.09 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-propylbenzene is sourced from PubChem (CID 15748977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).