1-bromo-4-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene

C11H13Br — CID 160773433

IUPAC1-bromo-4-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene
SMILESC[C@H]1C[C@@H]1Cc1ccc(Br)cc1
InChIInChI=1S/C11H13Br/c1-8-6-10(8)7-9-2-4-11(12)5-3-9/h2-5,8,10H,6-7H2,1H3/t8-,10+/m0/s1
InChIKeyRZPXKMDSBIZECI-WCBMZHEXSA-N
MW225.13 g/mol
LogP3.65
Rot. Bonds2

About 1-bromo-4-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene

1-bromo-4-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene (PubChem CID 160773433) has the molecular formula C11H13Br and a molecular weight of 225.13 g/mol. Its IUPAC name is 1-bromo-4-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene
PubChem CID160773433
Molecular FormulaC11H13Br
Molecular Weight225.13 g/mol
Exact Mass224.02
IUPAC Name1-bromo-4-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene
SMILESC[C@H]1C[C@@H]1Cc1ccc(Br)cc1
InChIInChI=1S/C11H13Br/c1-8-6-10(8)7-9-2-4-11(12)5-3-9/h2-5,8,10H,6-7H2,1H3/t8-,10+/m0/s1
InChIKeyRZPXKMDSBIZECI-WCBMZHEXSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.13
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-dibromo-5-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene
CID 159961649
trans-(1R,2R)-2-[(4-bromophenyl)methyl]cyclopropane-1-carboxylic acid
CID 99939597
2-[2-[(4-bromophenyl)methyl]cyclopropyl]acetonitrile
CID 118947152
1-[2-[(4-bromophenyl)methyl]cyclobutyl]-N-methylmethanamine
CID 81016958
methyl 2-[2-[(4-bromophenyl)methyl]cyclopropyl]acetate
CID 118946963
2-[(4-bromophenyl)methyl]-4-tert-butylcyclohexan-1-ol
CID 55193773
3-bromo-4-[(4-bromophenyl)methyl]thiolane
CID 83191564
4-[(4-bromophenyl)methyl]thiolan-3-amine
CID 83197022
[2-[(4-bromophenyl)methyl]cyclohexyl]methanamine
CID 81011021
[2-[(4-bromophenyl)methyl]-4-ethylcyclohexyl]methanamine
CID 81012573
3-[(4-bromophenyl)methyl]cyclobutane-1-carboxylic acid
CID 83663181
N-[[2-[(4-bromophenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81025478

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene?
The IUPAC name of 1-bromo-4-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene (CID 160773433) is 1-bromo-4-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene.
What is the SMILES notation for 1-bromo-4-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene?
The canonical SMILES for 1-bromo-4-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene is C[C@H]1C[C@@H]1Cc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene?
The InChIKey is RZPXKMDSBIZECI-WCBMZHEXSA-N. The full InChI is InChI=1S/C11H13Br/c1-8-6-10(8)7-9-2-4-11(12)5-3-9/h2-5,8,10H,6-7H2,1H3/t8-,10+/m0/s1.
What are the key properties of 1-bromo-4-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene?
1-bromo-4-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene has a molecular weight of 225.13 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene is sourced from PubChem (CID 160773433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).