1-bromo-3-(2-propylcyclopropyl)benzene

C12H15Br — CID 142794167

IUPAC1-bromo-3-(2-propylcyclopropyl)benzene
SMILESCCCC1CC1c1cccc(Br)c1
InChIInChI=1S/C12H15Br/c1-2-4-9-8-12(9)10-5-3-6-11(13)7-10/h3,5-7,9,12H,2,4,8H2,1H3
InChIKeySHJARSFGWMZQKY-UHFFFAOYSA-N
MW239.16 g/mol
LogP4.35
Rot. Bonds3

About 1-bromo-3-(2-propylcyclopropyl)benzene

1-bromo-3-(2-propylcyclopropyl)benzene (PubChem CID 142794167) has the molecular formula C12H15Br and a molecular weight of 239.16 g/mol. Its IUPAC name is 1-bromo-3-(2-propylcyclopropyl)benzene.

Molecular Properties

Compound Name1-bromo-3-(2-propylcyclopropyl)benzene
PubChem CID142794167
Molecular FormulaC12H15Br
Molecular Weight239.16 g/mol
Exact Mass238.04
IUPAC Name1-bromo-3-(2-propylcyclopropyl)benzene
SMILESCCCC1CC1c1cccc(Br)c1
InChIInChI=1S/C12H15Br/c1-2-4-9-8-12(9)10-5-3-6-11(13)7-10/h3,5-7,9,12H,2,4,8H2,1H3
InChIKeySHJARSFGWMZQKY-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.16
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-Bromotoluene
CID 11560
4-Bromobiphenyl
CID 7101
3-Bromobiphenyl
CID 16449
3,5-Dibromobiphenyl
CID 3014933
2-Bromobiphenyl
CID 16329
3,3'-Dibromobiphenyl
CID 153987
1-Bromo-4-ethylbenzene
CID 15313
Benzene, 2-bromo-1,4-dimethyl-
CID 11121
2-Bromo-m-xylene
CID 68471
2,3'-Dibromobiphenyl
CID 154302
3,4'-Dibromobiphenyl
CID 154376
1-Bromo-4-cyclohexylbenzene
CID 90718

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(2-propylcyclopropyl)benzene?
The IUPAC name of 1-bromo-3-(2-propylcyclopropyl)benzene (CID 142794167) is 1-bromo-3-(2-propylcyclopropyl)benzene.
What is the SMILES notation for 1-bromo-3-(2-propylcyclopropyl)benzene?
The canonical SMILES for 1-bromo-3-(2-propylcyclopropyl)benzene is CCCC1CC1c1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-(2-propylcyclopropyl)benzene?
The InChIKey is SHJARSFGWMZQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br/c1-2-4-9-8-12(9)10-5-3-6-11(13)7-10/h3,5-7,9,12H,2,4,8H2,1H3.
What are the key properties of 1-bromo-3-(2-propylcyclopropyl)benzene?
1-bromo-3-(2-propylcyclopropyl)benzene has a molecular weight of 239.16 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(2-propylcyclopropyl)benzene is sourced from PubChem (CID 142794167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).