2,4-dichloro-1-[(2-chloro-5-methylcyclohexyl)methyl]benzene

C14H17Cl3 — CID 63461138

IUPAC2,4-dichloro-1-[(2-chloro-5-methylcyclohexyl)methyl]benzene
SMILESCC1CCC(Cl)C(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C14H17Cl3/c1-9-2-5-13(16)11(6-9)7-10-3-4-12(15)8-14(10)17/h3-4,8-9,11,13H,2,5-7H2,1H3
InChIKeyLJOZCIDMXFQDAQ-UHFFFAOYSA-N
MW291.65 g/mol
LogP5.58
Rot. Bonds2

About 2,4-dichloro-1-[(2-chloro-5-methylcyclohexyl)methyl]benzene

2,4-dichloro-1-[(2-chloro-5-methylcyclohexyl)methyl]benzene (PubChem CID 63461138) has the molecular formula C14H17Cl3 and a molecular weight of 291.65 g/mol. Its IUPAC name is 2,4-dichloro-1-[(2-chloro-5-methylcyclohexyl)methyl]benzene.

Molecular Properties

Compound Name2,4-dichloro-1-[(2-chloro-5-methylcyclohexyl)methyl]benzene
PubChem CID63461138
Molecular FormulaC14H17Cl3
Molecular Weight291.65 g/mol
Exact Mass290.04
IUPAC Name2,4-dichloro-1-[(2-chloro-5-methylcyclohexyl)methyl]benzene
SMILESCC1CCC(Cl)C(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C14H17Cl3/c1-9-2-5-13(16)11(6-9)7-10-3-4-12(15)8-14(10)17/h3-4,8-9,11,13H,2,5-7H2,1H3
InChIKeyLJOZCIDMXFQDAQ-UHFFFAOYSA-N
XLogP5.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.65
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,4-dichloro-1-[(2-chloro-5-methylcyclohexyl)methyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-[(2,4-dichlorophenyl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81035101
2-[(2-chloro-4-methylphenyl)methyl]-4-methylcyclohexan-1-ol
CID 106869160
1,4-dichloro-2-[(2-chloro-5-ethylcyclohexyl)methyl]benzene
CID 65321163
4-chloro-1-[(2-chloro-5-propylcyclohexyl)methyl]-2-fluorobenzene
CID 114857916
1-[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-methylmethanamine
CID 81017170
1-[(5-tert-butyl-2-chlorocyclohexyl)methyl]-4-chloro-2-fluorobenzene
CID 114857917
2-[(2-chloro-4-methylphenyl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 106870915
2-[(5-chloro-2-fluorophenyl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 103051728
N-[[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 81017504
2-[(2,4-dichlorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 63399956
N-[2-(2,4-dichlorophenyl)ethyl]-2,4-dimethylcyclohexan-1-amine
CID 64774730
1-chloro-3-[(2,4-dichlorophenyl)methyl]cycloheptane
CID 64507512

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-[(2-chloro-5-methylcyclohexyl)methyl]benzene?
The IUPAC name of 2,4-dichloro-1-[(2-chloro-5-methylcyclohexyl)methyl]benzene (CID 63461138) is 2,4-dichloro-1-[(2-chloro-5-methylcyclohexyl)methyl]benzene.
What is the SMILES notation for 2,4-dichloro-1-[(2-chloro-5-methylcyclohexyl)methyl]benzene?
The canonical SMILES for 2,4-dichloro-1-[(2-chloro-5-methylcyclohexyl)methyl]benzene is CC1CCC(Cl)C(Cc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of 2,4-dichloro-1-[(2-chloro-5-methylcyclohexyl)methyl]benzene?
The InChIKey is LJOZCIDMXFQDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl3/c1-9-2-5-13(16)11(6-9)7-10-3-4-12(15)8-14(10)17/h3-4,8-9,11,13H,2,5-7H2,1H3.
What are the key properties of 2,4-dichloro-1-[(2-chloro-5-methylcyclohexyl)methyl]benzene?
2,4-dichloro-1-[(2-chloro-5-methylcyclohexyl)methyl]benzene has a molecular weight of 291.65 g/mol, XLogP of 5.58, 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-[(2-chloro-5-methylcyclohexyl)methyl]benzene is sourced from PubChem (CID 63461138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).