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

C13H15Cl3 — CID 63461674

IUPAC1,2-dichloro-4-[(2-chlorocyclohexyl)methyl]benzene
SMILESClc1ccc(CC2CCCCC2Cl)cc1Cl
InChIInChI=1S/C13H15Cl3/c14-11-4-2-1-3-10(11)7-9-5-6-12(15)13(16)8-9/h5-6,8,10-11H,1-4,7H2
InChIKeyRHQIZSVAWCEYRN-UHFFFAOYSA-N
MW277.62 g/mol
LogP5.33
Rot. Bonds2

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

1,2-dichloro-4-[(2-chlorocyclohexyl)methyl]benzene (PubChem CID 63461674) has the molecular formula C13H15Cl3 and a molecular weight of 277.62 g/mol. Its IUPAC name is 1,2-dichloro-4-[(2-chlorocyclohexyl)methyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[(2-chlorocyclohexyl)methyl]benzene
PubChem CID63461674
Molecular FormulaC13H15Cl3
Molecular Weight277.62 g/mol
Exact Mass276.02
IUPAC Name1,2-dichloro-4-[(2-chlorocyclohexyl)methyl]benzene
SMILESClc1ccc(CC2CCCCC2Cl)cc1Cl
InChIInChI=1S/C13H15Cl3/c14-11-4-2-1-3-10(11)7-9-5-6-12(15)13(16)8-9/h5-6,8,10-11H,1-4,7H2
InChIKeyRHQIZSVAWCEYRN-UHFFFAOYSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.62
LogP ≤ 55.33
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

N-[[2-[(3,4-dichlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81034512
1-tert-butyl-4-[(2-chlorocyclohexyl)methyl]benzene
CID 63461490
1-chloro-2-[[3-(trifluoromethyl)phenyl]methyl]cycloheptane
CID 63459682
1-chloro-2-[(2-chlorocyclopentyl)methyl]-4-fluorobenzene
CID 102619676
5-bromo-6-[(3,4-dichlorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 63470691
4-[(3,4-dichlorophenyl)methyl]cyclohexan-1-amine
CID 83262000
1,2-dichloro-4-(2-cyclopentylethyl)benzene
CID 67484216
1-chloro-2-[(4-nitrophenyl)methyl]cycloheptane
CID 63459674
2-chloro-4-[(2-chlorocyclopentyl)methyl]thiophene
CID 131071027
3-[(3,4-dichlorophenyl)methyl]pyrrolidine
CID 82158944
4-chloro-1-[(2-chlorocyclohexyl)methyl]-2-fluorobenzene
CID 114857906
4-[(3,4-dichlorophenyl)methyl]azepane
CID 83261164

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[(2-chlorocyclohexyl)methyl]benzene?
The IUPAC name of 1,2-dichloro-4-[(2-chlorocyclohexyl)methyl]benzene (CID 63461674) is 1,2-dichloro-4-[(2-chlorocyclohexyl)methyl]benzene.
What is the SMILES notation for 1,2-dichloro-4-[(2-chlorocyclohexyl)methyl]benzene?
The canonical SMILES for 1,2-dichloro-4-[(2-chlorocyclohexyl)methyl]benzene is Clc1ccc(CC2CCCCC2Cl)cc1Cl.
What is the InChIKey of 1,2-dichloro-4-[(2-chlorocyclohexyl)methyl]benzene?
The InChIKey is RHQIZSVAWCEYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl3/c14-11-4-2-1-3-10(11)7-9-5-6-12(15)13(16)8-9/h5-6,8,10-11H,1-4,7H2.
What are the key properties of 1,2-dichloro-4-[(2-chlorocyclohexyl)methyl]benzene?
1,2-dichloro-4-[(2-chlorocyclohexyl)methyl]benzene has a molecular weight of 277.62 g/mol, XLogP of 5.33, 2 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-chlorocyclohexyl)methyl]benzene is sourced from PubChem (CID 63461674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).