1,3-dichloro-2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]benzene

C16H21Cl3 — CID 55191506

IUPAC1,3-dichloro-2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]benzene
SMILESCC(C)C1CCC(Cl)C(Cc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C16H21Cl3/c1-10(2)11-6-7-14(17)12(8-11)9-13-15(18)4-3-5-16(13)19/h3-5,10-12,14H,6-9H2,1-2H3
InChIKeyLLIZCHCWWAPLIX-UHFFFAOYSA-N
MW319.70 g/mol
LogP6.22
Rot. Bonds3

About 1,3-dichloro-2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]benzene

1,3-dichloro-2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]benzene (PubChem CID 55191506) has the molecular formula C16H21Cl3 and a molecular weight of 319.70 g/mol. Its IUPAC name is 1,3-dichloro-2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]benzene.

Molecular Properties

Compound Name1,3-dichloro-2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]benzene
PubChem CID55191506
Molecular FormulaC16H21Cl3
Molecular Weight319.70 g/mol
Exact Mass318.07
IUPAC Name1,3-dichloro-2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]benzene
SMILESCC(C)C1CCC(Cl)C(Cc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C16H21Cl3/c1-10(2)11-6-7-14(17)12(8-11)9-13-15(18)4-3-5-16(13)19/h3-5,10-12,14H,6-9H2,1-2H3
InChIKeyLLIZCHCWWAPLIX-UHFFFAOYSA-N
XLogP6.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.70
LogP ≤ 56.22
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

1,3-dichloro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene
CID 21025336
2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]-1,3,5-trimethylbenzene
CID 63471293
2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]-1,4-difluorobenzene
CID 63472251
3-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]thiophene
CID 63472632
1-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]-2-nitrobenzene
CID 63470537
2-(2,6-dichlorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 65423546
4-chloro-3-[(2,6-dichlorophenyl)methyl]oxane
CID 106471526
3-(2-chloro-5-propan-2-ylcyclohexyl)propoxybenzene
CID 63471491
1-bromo-4-[2-(2-chloro-5-propan-2-ylcyclohexyl)ethoxy]benzene
CID 63472442
1-chloro-2-[(3-chloro-2-methylcyclopentyl)methyl]-3-fluorobenzene
CID 64907735
3-chloro-4-[(2,6-dichlorophenyl)methyl]thiolane
CID 83191555
1-chloro-2-[(2-chloro-5-propylcyclohexyl)methyl]-3-nitrobenzene
CID 63747195

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]benzene?
The IUPAC name of 1,3-dichloro-2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]benzene (CID 55191506) is 1,3-dichloro-2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]benzene.
What is the SMILES notation for 1,3-dichloro-2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]benzene?
The canonical SMILES for 1,3-dichloro-2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]benzene is CC(C)C1CCC(Cl)C(Cc2c(Cl)cccc2Cl)C1.
What is the InChIKey of 1,3-dichloro-2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]benzene?
The InChIKey is LLIZCHCWWAPLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl3/c1-10(2)11-6-7-14(17)12(8-11)9-13-15(18)4-3-5-16(13)19/h3-5,10-12,14H,6-9H2,1-2H3.
What are the key properties of 1,3-dichloro-2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]benzene?
1,3-dichloro-2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]benzene has a molecular weight of 319.70 g/mol, XLogP of 6.22, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]benzene is sourced from PubChem (CID 55191506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).