2,4-dichloro-1-[(3-chlorocyclopenten-1-yl)methyl]benzene

C12H11Cl3 — CID 65175937

IUPAC2,4-dichloro-1-[(3-chlorocyclopenten-1-yl)methyl]benzene
SMILESClc1ccc(CC2=CC(Cl)CC2)c(Cl)c1
InChIInChI=1S/C12H11Cl3/c13-10-3-1-8(6-10)5-9-2-4-11(14)7-12(9)15/h2,4,6-7,10H,1,3,5H2
InChIKeyPWHREPUGGVLYLY-UHFFFAOYSA-N
MW261.58 g/mol
LogP4.86
Rot. Bonds2

About 2,4-dichloro-1-[(3-chlorocyclopenten-1-yl)methyl]benzene

2,4-dichloro-1-[(3-chlorocyclopenten-1-yl)methyl]benzene (PubChem CID 65175937) has the molecular formula C12H11Cl3 and a molecular weight of 261.58 g/mol. Its IUPAC name is 2,4-dichloro-1-[(3-chlorocyclopenten-1-yl)methyl]benzene.

Molecular Properties

Compound Name2,4-dichloro-1-[(3-chlorocyclopenten-1-yl)methyl]benzene
PubChem CID65175937
Molecular FormulaC12H11Cl3
Molecular Weight261.58 g/mol
Exact Mass259.99
IUPAC Name2,4-dichloro-1-[(3-chlorocyclopenten-1-yl)methyl]benzene
SMILESClc1ccc(CC2=CC(Cl)CC2)c(Cl)c1
InChIInChI=1S/C12H11Cl3/c13-10-3-1-8(6-10)5-9-2-4-11(14)7-12(9)15/h2,4,6-7,10H,1,3,5H2
InChIKeyPWHREPUGGVLYLY-UHFFFAOYSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.58
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-1-[(2,5-dichlorophenyl)methyl]cycloheptene
CID 107384023
1,3-dichloro-2-[(3-chlorocyclopenten-1-yl)methyl]benzene
CID 65174071
2-bromo-1-[(3-chlorocyclopenten-1-yl)methyl]-4-fluorobenzene
CID 65176426
2-[(3-chlorocyclopenten-1-yl)methyl]-1,4-dimethylbenzene
CID 65174776
1-[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-methylmethanamine
CID 81017170
1-chloro-3-[(2,4-dichlorophenyl)methyl]cycloheptane
CID 64507512
2-chloro-N-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine
CID 65026126
(2,4-dichlorophenyl)methylphosphane
CID 134447961
1-cyclopropyl-2-(2,4-dichlorophenyl)ethanamine
CID 62602404
2,4-dichloro-1-[(2,4-dimethylphenyl)methyl]benzene
CID 57116365
4-[(2,4-dichlorophenyl)methyl]aniline
CID 116926043
3-cyclopropyl-5-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazole
CID 154748359

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-[(3-chlorocyclopenten-1-yl)methyl]benzene?
The IUPAC name of 2,4-dichloro-1-[(3-chlorocyclopenten-1-yl)methyl]benzene (CID 65175937) is 2,4-dichloro-1-[(3-chlorocyclopenten-1-yl)methyl]benzene.
What is the SMILES notation for 2,4-dichloro-1-[(3-chlorocyclopenten-1-yl)methyl]benzene?
The canonical SMILES for 2,4-dichloro-1-[(3-chlorocyclopenten-1-yl)methyl]benzene is Clc1ccc(CC2=CC(Cl)CC2)c(Cl)c1.
What is the InChIKey of 2,4-dichloro-1-[(3-chlorocyclopenten-1-yl)methyl]benzene?
The InChIKey is PWHREPUGGVLYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl3/c13-10-3-1-8(6-10)5-9-2-4-11(14)7-12(9)15/h2,4,6-7,10H,1,3,5H2.
What are the key properties of 2,4-dichloro-1-[(3-chlorocyclopenten-1-yl)methyl]benzene?
2,4-dichloro-1-[(3-chlorocyclopenten-1-yl)methyl]benzene has a molecular weight of 261.58 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-[(3-chlorocyclopenten-1-yl)methyl]benzene is sourced from PubChem (CID 65175937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).