1,3-dibromo-5-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene

Name: 1,3-dibromo-5-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₁₂Br₂ — CID 159961649

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1,3-dibromo-5-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene

SMILESC[C@H]1C[C@@H]1Cc1cc(Br)cc(Br)c1

InChIInChI=1S/C11H12Br2/c1-7-2-9(7)3-8-4-10(12)6-11(13)5-8/h4-7,9H,2-3H2,1H3/t7-,9+/m0/s1

InChIKeyODKGRZXPECFZMU-IONNQARKSA-N

MW304.03 g/mol

LogP4.41

Rot. Bonds2

About 1,3-dibromo-5-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene

1,3-dibromo-5-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene (PubChem CID 159961649) has the molecular formula C₁₁H₁₂Br₂ and a molecular weight of 304.03 g/mol. Its IUPAC name is 1,3-dibromo-5-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene.

Molecular Properties

Compound Name	1,3-dibromo-5-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene
PubChem CID	159961649
Molecular Formula	C₁₁H₁₂Br₂
Molecular Weight	304.03 g/mol
Exact Mass	301.93
IUPAC Name	1,3-dibromo-5-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene
SMILES	C[C@H]1C[C@@H]1Cc1cc(Br)cc(Br)c1
InChI	InChI=1S/C11H12Br2/c1-7-2-9(7)3-8-4-10(12)6-11(13)5-8/h4-7,9H,2-3H2,1H3/t7-,9+/m0/s1
InChIKey	ODKGRZXPECFZMU-IONNQARKSA-N
XLogP	4.41
TPSA	0.00 Å²
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds	2
Heavy Atoms	13
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	304.03
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-5-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene?

The IUPAC name of 1,3-dibromo-5-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene (CID 159961649) is 1,3-dibromo-5-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene.

What is the SMILES notation for 1,3-dibromo-5-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene?

The canonical SMILES for 1,3-dibromo-5-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene is C[C@H]1C[C@@H]1Cc1cc(Br)cc(Br)c1.

What is the InChIKey of 1,3-dibromo-5-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene?

The InChIKey is ODKGRZXPECFZMU-IONNQARKSA-N. The full InChI is InChI=1S/C11H12Br2/c1-7-2-9(7)3-8-4-10(12)6-11(13)5-8/h4-7,9H,2-3H2,1H3/t7-,9+/m0/s1.

What are the key properties of 1,3-dibromo-5-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene?

1,3-dibromo-5-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene has a molecular weight of 304.03 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dibromo-5-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene is sourced from PubChem (CID 159961649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 159961649 — identifiers, structure, computed properties (public domain)

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