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

C12H11Cl3 — CID 65174071

IUPAC1,3-dichloro-2-[(3-chlorocyclopenten-1-yl)methyl]benzene
SMILESClc1cccc(Cl)c1CC1=CC(Cl)CC1
InChIInChI=1S/C12H11Cl3/c13-9-5-4-8(6-9)7-10-11(14)2-1-3-12(10)15/h1-3,6,9H,4-5,7H2
InChIKeyCUVHEMJQBGIRCU-UHFFFAOYSA-N
MW261.58 g/mol
LogP4.86
Rot. Bonds2

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

1,3-dichloro-2-[(3-chlorocyclopenten-1-yl)methyl]benzene (PubChem CID 65174071) has the molecular formula C12H11Cl3 and a molecular weight of 261.58 g/mol. Its IUPAC name is 1,3-dichloro-2-[(3-chlorocyclopenten-1-yl)methyl]benzene.

Molecular Properties

Compound Name1,3-dichloro-2-[(3-chlorocyclopenten-1-yl)methyl]benzene
PubChem CID65174071
Molecular FormulaC12H11Cl3
Molecular Weight261.58 g/mol
Exact Mass259.99
IUPAC Name1,3-dichloro-2-[(3-chlorocyclopenten-1-yl)methyl]benzene
SMILESClc1cccc(Cl)c1CC1=CC(Cl)CC1
InChIInChI=1S/C12H11Cl3/c13-9-5-4-8(6-9)7-10-11(14)2-1-3-12(10)15/h1-3,6,9H,4-5,7H2
InChIKeyCUVHEMJQBGIRCU-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-[(2-chloro-6-fluorophenyl)methyl]cyclohex-2-en-1-ol
CID 65176934
3-[(2,3-dichlorophenyl)methyl]cyclopent-2-en-1-ol
CID 107310355
1-but-3-ynyl-3-chlorocyclopentene
CID 65176161
2-[(3-chlorocyclohepten-1-yl)methyl]thiophene
CID 107383817
3-[(2,6-dichlorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol
CID 65174607
3-chloro-1-(methoxymethyl)cyclopentene
CID 79576989
(3-chlorocyclopenten-1-yl)methylcyclohexane
CID 65175889
2-(3-chlorocyclopenten-1-yl)ethoxymethylbenzene
CID 130537389
3-[2-(3-chlorocyclopenten-1-yl)ethyl]thiophene
CID 65176592
4-chloro-3-[(2,6-dichlorophenyl)methyl]oxane
CID 106471526
4-[(2,6-dichlorophenyl)methyl]cyclohexan-1-amine
CID 71165661
2-(3-chlorocyclohexen-1-yl)ethylbenzene
CID 65177340

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-[(3-chlorocyclopenten-1-yl)methyl]benzene?
The IUPAC name of 1,3-dichloro-2-[(3-chlorocyclopenten-1-yl)methyl]benzene (CID 65174071) is 1,3-dichloro-2-[(3-chlorocyclopenten-1-yl)methyl]benzene.
What is the SMILES notation for 1,3-dichloro-2-[(3-chlorocyclopenten-1-yl)methyl]benzene?
The canonical SMILES for 1,3-dichloro-2-[(3-chlorocyclopenten-1-yl)methyl]benzene is Clc1cccc(Cl)c1CC1=CC(Cl)CC1.
What is the InChIKey of 1,3-dichloro-2-[(3-chlorocyclopenten-1-yl)methyl]benzene?
The InChIKey is CUVHEMJQBGIRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl3/c13-9-5-4-8(6-9)7-10-11(14)2-1-3-12(10)15/h1-3,6,9H,4-5,7H2.
What are the key properties of 1,3-dichloro-2-[(3-chlorocyclopenten-1-yl)methyl]benzene?
1,3-dichloro-2-[(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 1,3-dichloro-2-[(3-chlorocyclopenten-1-yl)methyl]benzene is sourced from PubChem (CID 65174071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).