1-(bromomethyl)-3-chloro-2-ethylbenzene

C9H10BrCl — CID 22641961

IUPAC1-(bromomethyl)-3-chloro-2-ethylbenzene
SMILESCCc1c(Cl)cccc1CBr
InChIInChI=1S/C9H10BrCl/c1-2-8-7(6-10)4-3-5-9(8)11/h3-5H,2,6H2,1H3
InChIKeyLVSWZTFEHYBMPY-UHFFFAOYSA-N
MW233.54 g/mol
LogP3.80
Rot. Bonds2

About 1-(bromomethyl)-3-chloro-2-ethylbenzene

1-(bromomethyl)-3-chloro-2-ethylbenzene (PubChem CID 22641961) has the molecular formula C9H10BrCl and a molecular weight of 233.54 g/mol. Its IUPAC name is 1-(bromomethyl)-3-chloro-2-ethylbenzene.

Molecular Properties

Compound Name1-(bromomethyl)-3-chloro-2-ethylbenzene
PubChem CID22641961
Molecular FormulaC9H10BrCl
Molecular Weight233.54 g/mol
Exact Mass231.97
IUPAC Name1-(bromomethyl)-3-chloro-2-ethylbenzene
SMILESCCc1c(Cl)cccc1CBr
InChIInChI=1S/C9H10BrCl/c1-2-8-7(6-10)4-3-5-9(8)11/h3-5H,2,6H2,1H3
InChIKeyLVSWZTFEHYBMPY-UHFFFAOYSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.54
LogP ≤ 53.80
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

(3-chloro-2-ethylphenyl)methanol
CID 118269686
2-benzyl-1-(bromomethyl)-3-chlorobenzene
CID 154147704
1-bromo-3-chloro-2-ethylbenzene
CID 54267312
3-(3-chloro-2-ethylphenyl)-2-methylpropanal
CID 91884073
2-(3-bromopropyl)-1-chloro-3-ethylbenzene
CID 118841377
1-bromo-3-(2-chloro-6-ethylphenyl)propan-2-one
CID 134616253
1,3-bis(bromomethyl)-2-chlorobenzene
CID 612956
1-(bromomethyl)-2-[(2,6-dichlorophenyl)methoxy]-3-methylbenzene
CID 112614167
1-(3-chloro-2-ethylphenyl)ethanamine
CID 55282623
1-(bromomethyl)-3-chloro-2-[(4-ethylphenyl)methoxy]benzene
CID 112613813
1-(bromomethyl)-3-chloro-2-(1-methylcyclopropyl)benzene
CID 118117376
(3-chloro-2-ethylphenyl)hydrazine
CID 67877946

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-3-chloro-2-ethylbenzene?
The IUPAC name of 1-(bromomethyl)-3-chloro-2-ethylbenzene (CID 22641961) is 1-(bromomethyl)-3-chloro-2-ethylbenzene.
What is the SMILES notation for 1-(bromomethyl)-3-chloro-2-ethylbenzene?
The canonical SMILES for 1-(bromomethyl)-3-chloro-2-ethylbenzene is CCc1c(Cl)cccc1CBr.
What is the InChIKey of 1-(bromomethyl)-3-chloro-2-ethylbenzene?
The InChIKey is LVSWZTFEHYBMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrCl/c1-2-8-7(6-10)4-3-5-9(8)11/h3-5H,2,6H2,1H3.
What are the key properties of 1-(bromomethyl)-3-chloro-2-ethylbenzene?
1-(bromomethyl)-3-chloro-2-ethylbenzene has a molecular weight of 233.54 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-3-chloro-2-ethylbenzene is sourced from PubChem (CID 22641961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).