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

Analyze 1-bromo-3-(2-propylcyclopropyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1S,2R)-2-(3-bromophenyl)cyclopropyl]-N-methylmethanamine
CID 94558340
1-[(1R,2S)-2-(3-bromophenyl)cyclopropyl]-N-methylmethanamine
CID 94558337
1-[[2-(3-bromophenyl)cyclopropyl]methyl]pyrrolidine
CID 90016806
1-[(1S,2S)-2-butylcyclopropyl]-3-methoxybenzene
CID 102003898
[4-(3-bromophenyl)-1-methylpyrrolidin-3-yl]methanol
CID 102568208
[(1R,2R)-2-hexylcyclopropyl]benzene
CID 100977396
2-(3-bromophenyl)cyclopropane-1-carbonitrile
CID 82080179
5-(3-bromophenyl)bicyclo[2.2.1]hept-2-ene
CID 69021771
2-[(1S,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine
CID 139707086
cis-(1R,2S)-2-(3-bromophenyl)-1-ethylcyclopropan-1-amine
CID 90206358
(1R)-2-(3-bromophenyl)cyclopentan-1-ol
CID 172622901
2-(3-bromophenyl)-4-methylazetidine
CID 116822056

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).