1-chloro-3-[(2-chloro-5-ethylcyclohexyl)methyl]benzene

C15H20Cl2 — CID 63461867

IUPAC1-chloro-3-[(2-chloro-5-ethylcyclohexyl)methyl]benzene
SMILESCCC1CCC(Cl)C(Cc2cccc(Cl)c2)C1
InChIInChI=1S/C15H20Cl2/c1-2-11-6-7-15(17)13(8-11)9-12-4-3-5-14(16)10-12/h3-5,10-11,13,15H,2,6-9H2,1H3
InChIKeyJPWVHQGSWHUJSR-UHFFFAOYSA-N
MW271.23 g/mol
LogP5.32
Rot. Bonds3

About 1-chloro-3-[(2-chloro-5-ethylcyclohexyl)methyl]benzene

1-chloro-3-[(2-chloro-5-ethylcyclohexyl)methyl]benzene (PubChem CID 63461867) has the molecular formula C15H20Cl2 and a molecular weight of 271.23 g/mol. Its IUPAC name is 1-chloro-3-[(2-chloro-5-ethylcyclohexyl)methyl]benzene.

Molecular Properties

Compound Name1-chloro-3-[(2-chloro-5-ethylcyclohexyl)methyl]benzene
PubChem CID63461867
Molecular FormulaC15H20Cl2
Molecular Weight271.23 g/mol
Exact Mass270.09
IUPAC Name1-chloro-3-[(2-chloro-5-ethylcyclohexyl)methyl]benzene
SMILESCCC1CCC(Cl)C(Cc2cccc(Cl)c2)C1
InChIInChI=1S/C15H20Cl2/c1-2-11-6-7-15(17)13(8-11)9-12-4-3-5-14(16)10-12/h3-5,10-11,13,15H,2,6-9H2,1H3
InChIKeyJPWVHQGSWHUJSR-UHFFFAOYSA-N
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.23
LogP ≤ 55.32
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-[(2-chloro-5-ethylcyclohexyl)methyl]-3-fluorobenzene
CID 63461163
1-chloro-4-[(2-chloro-5-ethylcyclohexyl)methyl]benzene
CID 63461866
N-[[2-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine
CID 81029934
1,4-dichloro-2-[(2-chloro-5-ethylcyclohexyl)methyl]benzene
CID 65321163
2-[(3-chlorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63403544
[2-[(3-chlorophenyl)methyl]-4-propylcyclohexyl]methanamine
CID 81011460
1-[(2-chloro-5-ethylcyclohexyl)methyl]naphthalene
CID 63461697
1-bromo-3-[(2-chloro-5-ethylcyclohexyl)methyl]-5-fluorobenzene
CID 79709081
2-(3-chlorophenyl)-1-(3-ethylcyclopentyl)ethanamine
CID 65411591
1-[(2-chloro-5-propylcyclohexyl)methyl]-4-iodobenzene
CID 65476334
3-[(3-chlorophenyl)methyl]cyclobutan-1-amine
CID 142422934
4-chloro-1-[(2-chloro-5-propylcyclohexyl)methyl]-2-fluorobenzene
CID 114857916

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[(2-chloro-5-ethylcyclohexyl)methyl]benzene?
The IUPAC name of 1-chloro-3-[(2-chloro-5-ethylcyclohexyl)methyl]benzene (CID 63461867) is 1-chloro-3-[(2-chloro-5-ethylcyclohexyl)methyl]benzene.
What is the SMILES notation for 1-chloro-3-[(2-chloro-5-ethylcyclohexyl)methyl]benzene?
The canonical SMILES for 1-chloro-3-[(2-chloro-5-ethylcyclohexyl)methyl]benzene is CCC1CCC(Cl)C(Cc2cccc(Cl)c2)C1.
What is the InChIKey of 1-chloro-3-[(2-chloro-5-ethylcyclohexyl)methyl]benzene?
The InChIKey is JPWVHQGSWHUJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2/c1-2-11-6-7-15(17)13(8-11)9-12-4-3-5-14(16)10-12/h3-5,10-11,13,15H,2,6-9H2,1H3.
What are the key properties of 1-chloro-3-[(2-chloro-5-ethylcyclohexyl)methyl]benzene?
1-chloro-3-[(2-chloro-5-ethylcyclohexyl)methyl]benzene has a molecular weight of 271.23 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[(2-chloro-5-ethylcyclohexyl)methyl]benzene is sourced from PubChem (CID 63461867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).