1-bromo-2-[(1S,2S)-2-methylcyclopropyl]benzene

C10H11Br — CID 99867115

IUPAC1-bromo-2-[(1S,2S)-2-methylcyclopropyl]benzene
SMILESC[C@H]1C[C@@H]1c1ccccc1Br
InChIInChI=1S/C10H11Br/c1-7-6-9(7)8-4-2-3-5-10(8)11/h2-5,7,9H,6H2,1H3/t7-,9-/m0/s1
InChIKeyKVLWOYUWAXSOHG-CBAPKCEASA-N
MW211.10 g/mol
LogP3.57
Rot. Bonds1

About 1-bromo-2-[(1S,2S)-2-methylcyclopropyl]benzene

1-bromo-2-[(1S,2S)-2-methylcyclopropyl]benzene (PubChem CID 99867115) has the molecular formula C10H11Br and a molecular weight of 211.10 g/mol. Its IUPAC name is 1-bromo-2-[(1S,2S)-2-methylcyclopropyl]benzene.

Molecular Properties

Compound Name1-bromo-2-[(1S,2S)-2-methylcyclopropyl]benzene
PubChem CID99867115
Molecular FormulaC10H11Br
Molecular Weight211.10 g/mol
Exact Mass210.00
IUPAC Name1-bromo-2-[(1S,2S)-2-methylcyclopropyl]benzene
SMILESC[C@H]1C[C@@H]1c1ccccc1Br
InChIInChI=1S/C10H11Br/c1-7-6-9(7)8-4-2-3-5-10(8)11/h2-5,7,9H,6H2,1H3/t7-,9-/m0/s1
InChIKeyKVLWOYUWAXSOHG-CBAPKCEASA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.10
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cis-(1S,2S)-2-(2-bromophenyl)cyclopropan-1-amine
CID 93299622
1-bromo-2-(2-fluorocyclopropyl)benzene
CID 115028959
2-[(1S,2R)-2-methylcyclopropyl]phenol
CID 176896077
(9S)-9-methyltricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 140882379
1-[(1S,2S)-2-(2-bromophenyl)cyclopropyl]-N-methylmethanamine
CID 94558414
[(1R,2R)-2-(2-bromophenyl)cyclopropyl]methanamine;hydrochloride
CID 44572752
2-(2-bromophenyl)cyclobutan-1-amine
CID 105483632
1-methoxy-2-(2-methylcyclopropyl)benzene
CID 12651013
methyl 2-(2-bromophenyl)cyclopropane-1-carboxylate
CID 85264672
[2-(2-methylcyclopropyl)phenyl]hydrazine
CID 143335485
1-bromo-2-(3-fluorocyclobutyl)benzene
CID 115036967
(1R,5R,6R)-6-(2-bromophenyl)-3-azabicyclo[3.2.0]heptane
CID 125455003

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[(1S,2S)-2-methylcyclopropyl]benzene?
The IUPAC name of 1-bromo-2-[(1S,2S)-2-methylcyclopropyl]benzene (CID 99867115) is 1-bromo-2-[(1S,2S)-2-methylcyclopropyl]benzene.
What is the SMILES notation for 1-bromo-2-[(1S,2S)-2-methylcyclopropyl]benzene?
The canonical SMILES for 1-bromo-2-[(1S,2S)-2-methylcyclopropyl]benzene is C[C@H]1C[C@@H]1c1ccccc1Br.
What is the InChIKey of 1-bromo-2-[(1S,2S)-2-methylcyclopropyl]benzene?
The InChIKey is KVLWOYUWAXSOHG-CBAPKCEASA-N. The full InChI is InChI=1S/C10H11Br/c1-7-6-9(7)8-4-2-3-5-10(8)11/h2-5,7,9H,6H2,1H3/t7-,9-/m0/s1.
What are the key properties of 1-bromo-2-[(1S,2S)-2-methylcyclopropyl]benzene?
1-bromo-2-[(1S,2S)-2-methylcyclopropyl]benzene has a molecular weight of 211.10 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[(1S,2S)-2-methylcyclopropyl]benzene is sourced from PubChem (CID 99867115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).