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

C11H11Cl3 — CID 66033323

IUPAC1,2-dichloro-4-[[1-(chloromethyl)cyclopropyl]methyl]benzene
SMILESClCC1(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C11H11Cl3/c12-7-11(3-4-11)6-8-1-2-9(13)10(14)5-8/h1-2,5H,3-4,6-7H2
InChIKeyASMKNWAHACPYQB-UHFFFAOYSA-N
MW249.57 g/mol
LogP4.55
Rot. Bonds3

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

1,2-dichloro-4-[[1-(chloromethyl)cyclopropyl]methyl]benzene (PubChem CID 66033323) has the molecular formula C11H11Cl3 and a molecular weight of 249.57 g/mol. Its IUPAC name is 1,2-dichloro-4-[[1-(chloromethyl)cyclopropyl]methyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[[1-(chloromethyl)cyclopropyl]methyl]benzene
PubChem CID66033323
Molecular FormulaC11H11Cl3
Molecular Weight249.57 g/mol
Exact Mass247.99
IUPAC Name1,2-dichloro-4-[[1-(chloromethyl)cyclopropyl]methyl]benzene
SMILESClCC1(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C11H11Cl3/c12-7-11(3-4-11)6-8-1-2-9(13)10(14)5-8/h1-2,5H,3-4,6-7H2
InChIKeyASMKNWAHACPYQB-UHFFFAOYSA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.57
LogP ≤ 54.55
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

4-(chloromethyl)-4-[(3,4-dichlorophenyl)methyl]oxane
CID 66035545
2-chloro-4-[[1-(chloromethyl)cyclobutyl]methyl]-1-fluorobenzene
CID 103042016
4-[(4-chloro-3-fluorophenyl)methyl]-4-(chloromethyl)oxane
CID 107893120
4-[[1-(chloromethyl)cyclopropyl]methyl]-1,2-difluorobenzene
CID 82935489
[1-[(3,4-dichlorophenyl)methyl]cyclohexyl]methanamine
CID 63522504
[1-[(3,4-dichlorophenyl)methyl]cycloheptyl]methanamine
CID 65390706
2-bromo-4-[[1-(chloromethyl)cyclopropyl]methyl]-1-fluorobenzene
CID 66033542
N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(3,4-dichlorophenyl)methanamine
CID 103969053
3-benzyl-3-[(3,4-dichlorophenyl)methyl]azetidine
CID 79451201
3-[(3,4-dichlorophenyl)methyl]oxolan-3-ol
CID 65145994
4-[[4-butyl-1-(chloromethyl)cyclohexyl]methyl]-2-chloro-1-fluorobenzene
CID 103042014
3-[(3,4-dichlorophenyl)methyl]-3-propylazetidine
CID 79451841

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[[1-(chloromethyl)cyclopropyl]methyl]benzene?
The IUPAC name of 1,2-dichloro-4-[[1-(chloromethyl)cyclopropyl]methyl]benzene (CID 66033323) is 1,2-dichloro-4-[[1-(chloromethyl)cyclopropyl]methyl]benzene.
What is the SMILES notation for 1,2-dichloro-4-[[1-(chloromethyl)cyclopropyl]methyl]benzene?
The canonical SMILES for 1,2-dichloro-4-[[1-(chloromethyl)cyclopropyl]methyl]benzene is ClCC1(Cc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1,2-dichloro-4-[[1-(chloromethyl)cyclopropyl]methyl]benzene?
The InChIKey is ASMKNWAHACPYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl3/c12-7-11(3-4-11)6-8-1-2-9(13)10(14)5-8/h1-2,5H,3-4,6-7H2.
What are the key properties of 1,2-dichloro-4-[[1-(chloromethyl)cyclopropyl]methyl]benzene?
1,2-dichloro-4-[[1-(chloromethyl)cyclopropyl]methyl]benzene has a molecular weight of 249.57 g/mol, XLogP of 4.55, 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-[[1-(chloromethyl)cyclopropyl]methyl]benzene is sourced from PubChem (CID 66033323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).