1-bromo-3-(1-bromopropyl)-2-methylbenzene

C10H12Br2 — CID 130139953

IUPAC1-bromo-3-(1-bromopropyl)-2-methylbenzene
SMILESCCC(Br)c1cccc(Br)c1C
InChIInChI=1S/C10H12Br2/c1-3-9(11)8-5-4-6-10(12)7(8)2/h4-6,9H,3H2,1-2H3
InChIKeyYEGDOFRULWKXHD-UHFFFAOYSA-N
MW292.01 g/mol
LogP4.60
Rot. Bonds2

About 1-bromo-3-(1-bromopropyl)-2-methylbenzene

1-bromo-3-(1-bromopropyl)-2-methylbenzene (PubChem CID 130139953) has the molecular formula C10H12Br2 and a molecular weight of 292.01 g/mol. Its IUPAC name is 1-bromo-3-(1-bromopropyl)-2-methylbenzene.

Molecular Properties

Compound Name1-bromo-3-(1-bromopropyl)-2-methylbenzene
PubChem CID130139953
Molecular FormulaC10H12Br2
Molecular Weight292.01 g/mol
Exact Mass289.93
IUPAC Name1-bromo-3-(1-bromopropyl)-2-methylbenzene
SMILESCCC(Br)c1cccc(Br)c1C
InChIInChI=1S/C10H12Br2/c1-3-9(11)8-5-4-6-10(12)7(8)2/h4-6,9H,3H2,1-2H3
InChIKeyYEGDOFRULWKXHD-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.01
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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1-(3-bromo-2-methylphenyl)-3-methylpentan-1-ol
CID 115789330
1-(3-bromo-2-methylphenyl)-2-propoxyethanamine
CID 105008530
1-bromo-2-methyl-3-(3-methylhept-4-yn-2-yl)benzene
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1-(3-bromo-2-methylphenyl)octan-1-amine
CID 115832299
2-[3-(3-bromo-2-methylphenyl)butan-2-yl]propane-1,3-diamine
CID 83925996
1-(3-bromo-2-methylphenyl)-2,2-dichloroethanol
CID 164892436
1-(3-bromo-2-methylphenyl)-3-ethylheptan-1-ol
CID 114981334
1-(3-bromo-2-methylphenyl)-2-propoxyethanol
CID 115818912
1-(3-bromo-2-methylphenyl)-2-ethoxy-N-methylethanamine
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1-(3-bromo-2-methylphenyl)-N-ethyl-4-methylpentan-1-amine
CID 115834241

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(1-bromopropyl)-2-methylbenzene?
The IUPAC name of 1-bromo-3-(1-bromopropyl)-2-methylbenzene (CID 130139953) is 1-bromo-3-(1-bromopropyl)-2-methylbenzene.
What is the SMILES notation for 1-bromo-3-(1-bromopropyl)-2-methylbenzene?
The canonical SMILES for 1-bromo-3-(1-bromopropyl)-2-methylbenzene is CCC(Br)c1cccc(Br)c1C.
What is the InChIKey of 1-bromo-3-(1-bromopropyl)-2-methylbenzene?
The InChIKey is YEGDOFRULWKXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2/c1-3-9(11)8-5-4-6-10(12)7(8)2/h4-6,9H,3H2,1-2H3.
What are the key properties of 1-bromo-3-(1-bromopropyl)-2-methylbenzene?
1-bromo-3-(1-bromopropyl)-2-methylbenzene has a molecular weight of 292.01 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(1-bromopropyl)-2-methylbenzene is sourced from PubChem (CID 130139953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).