1,2-dichloro-4-[2-(chloromethyl)-1-ethylcyclopropyl]benzene

C12H13Cl3 — CID 130646142

IUPAC1,2-dichloro-4-[2-(chloromethyl)-1-ethylcyclopropyl]benzene
SMILESCCC1(c2ccc(Cl)c(Cl)c2)CC1CCl
InChIInChI=1S/C12H13Cl3/c1-2-12(6-9(12)7-13)8-3-4-10(14)11(15)5-8/h3-5,9H,2,6-7H2,1H3
InChIKeyDYTZMHRZYFMMJX-UHFFFAOYSA-N
MW263.59 g/mol
LogP4.90
Rot. Bonds3

About 1,2-dichloro-4-[2-(chloromethyl)-1-ethylcyclopropyl]benzene

1,2-dichloro-4-[2-(chloromethyl)-1-ethylcyclopropyl]benzene (PubChem CID 130646142) has the molecular formula C12H13Cl3 and a molecular weight of 263.59 g/mol. Its IUPAC name is 1,2-dichloro-4-[2-(chloromethyl)-1-ethylcyclopropyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[2-(chloromethyl)-1-ethylcyclopropyl]benzene
PubChem CID130646142
Molecular FormulaC12H13Cl3
Molecular Weight263.59 g/mol
Exact Mass262.01
IUPAC Name1,2-dichloro-4-[2-(chloromethyl)-1-ethylcyclopropyl]benzene
SMILESCCC1(c2ccc(Cl)c(Cl)c2)CC1CCl
InChIInChI=1S/C12H13Cl3/c1-2-12(6-9(12)7-13)8-3-4-10(14)11(15)5-8/h3-5,9H,2,6-7H2,1H3
InChIKeyDYTZMHRZYFMMJX-UHFFFAOYSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.59
LogP ≤ 54.90
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

[(2R)-2-(3,4-dichlorophenyl)-2-(hydroxymethyl)cyclopropyl]methanol
CID 59779155
1-[(1S,2R)-1-(3,4-dichlorophenyl)-2-methylcyclohexyl]-N-methylmethanamine;1-[(1R,2S)-1-(3,4-dichlorophenyl)-2-methylcyclohexyl]-N-methylmethanamine
CID 158997057
N-[[1-(3,4-dichlorophenyl)-2-methylcyclobutyl]methyl]cyclopropanamine
CID 66424142
1,2-dichloro-4-(1-methylcyclopropyl)benzene;ethane;propane
CID 143403247
1-[(1S,2R)-1-(3,4-dichlorophenyl)-2-phenylcyclopropyl]-N-methylmethanamine;hydrochloride
CID 23650493
1-(3,4-dichlorophenyl)-3-ethylcyclopentan-1-amine
CID 64514572
trans-(1S,2R)-2-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol
CID 58954805
1-[(1R,2S)-1-(3,4-dichlorophenyl)-2-methylcyclohexyl]-N,N-dimethylmethanamine
CID 58954957
3-butyl-3-(3,4-dichlorophenyl)-1,4-dimethylpyrrolidine
CID 91190524
[(1R,2S)-2-(3,4-dichlorophenyl)-2-(methylaminomethyl)cyclopentyl]methanol
CID 58566857
[(1S,2R)-1-(3,4-dichlorophenyl)-2-methylcyclohexyl]methanamine;[(1R,2S)-1-(3,4-dichlorophenyl)-2-methylcyclohexyl]methanamine;dihydrochloride
CID 161074997
[(1R,2S)-2-(aminomethyl)-2-(4-chloro-3-phosphanylphenyl)cyclopropyl]methanol
CID 143618087

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[2-(chloromethyl)-1-ethylcyclopropyl]benzene?
The IUPAC name of 1,2-dichloro-4-[2-(chloromethyl)-1-ethylcyclopropyl]benzene (CID 130646142) is 1,2-dichloro-4-[2-(chloromethyl)-1-ethylcyclopropyl]benzene.
What is the SMILES notation for 1,2-dichloro-4-[2-(chloromethyl)-1-ethylcyclopropyl]benzene?
The canonical SMILES for 1,2-dichloro-4-[2-(chloromethyl)-1-ethylcyclopropyl]benzene is CCC1(c2ccc(Cl)c(Cl)c2)CC1CCl.
What is the InChIKey of 1,2-dichloro-4-[2-(chloromethyl)-1-ethylcyclopropyl]benzene?
The InChIKey is DYTZMHRZYFMMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl3/c1-2-12(6-9(12)7-13)8-3-4-10(14)11(15)5-8/h3-5,9H,2,6-7H2,1H3.
What are the key properties of 1,2-dichloro-4-[2-(chloromethyl)-1-ethylcyclopropyl]benzene?
1,2-dichloro-4-[2-(chloromethyl)-1-ethylcyclopropyl]benzene has a molecular weight of 263.59 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-[2-(chloromethyl)-1-ethylcyclopropyl]benzene is sourced from PubChem (CID 130646142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).