1-(chloromethyl)-4-[2-(4-ethylphenyl)ethyl]benzene;ethane

C19H25Cl — CID 144873736

IUPAC1-(chloromethyl)-4-[2-(4-ethylphenyl)ethyl]benzene;ethane
SMILESCC.CCc1ccc(CCc2ccc(CCl)cc2)cc1
InChIInChI=1S/C17H19Cl.C2H6/c1-2-14-3-5-15(6-4-14)7-8-16-9-11-17(13-18)12-10-16;1-2/h3-6,9-12H,2,7-8,13H2,1H3;1-2H3
InChIKeyQYZOWBCRMDLLQD-UHFFFAOYSA-N
MW288.86 g/mol
LogP5.80
Rot. Bonds5

About 1-(chloromethyl)-4-[2-(4-ethylphenyl)ethyl]benzene;ethane

1-(chloromethyl)-4-[2-(4-ethylphenyl)ethyl]benzene;ethane (PubChem CID 144873736) has the molecular formula C19H25Cl and a molecular weight of 288.86 g/mol. Its IUPAC name is 1-(chloromethyl)-4-[2-(4-ethylphenyl)ethyl]benzene;ethane.

Molecular Properties

Compound Name1-(chloromethyl)-4-[2-(4-ethylphenyl)ethyl]benzene;ethane
PubChem CID144873736
Molecular FormulaC19H25Cl
Molecular Weight288.86 g/mol
Exact Mass288.16
IUPAC Name1-(chloromethyl)-4-[2-(4-ethylphenyl)ethyl]benzene;ethane
SMILESCC.CCc1ccc(CCc2ccc(CCl)cc2)cc1
InChIInChI=1S/C17H19Cl.C2H6/c1-2-14-3-5-15(6-4-14)7-8-16-9-11-17(13-18)12-10-16;1-2/h3-6,9-12H,2,7-8,13H2,1H3;1-2H3
InChIKeyQYZOWBCRMDLLQD-UHFFFAOYSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.86
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-4-[2-(4-ethylphenyl)ethyl]benzene;ethane?
The IUPAC name of 1-(chloromethyl)-4-[2-(4-ethylphenyl)ethyl]benzene;ethane (CID 144873736) is 1-(chloromethyl)-4-[2-(4-ethylphenyl)ethyl]benzene;ethane.
What is the SMILES notation for 1-(chloromethyl)-4-[2-(4-ethylphenyl)ethyl]benzene;ethane?
The canonical SMILES for 1-(chloromethyl)-4-[2-(4-ethylphenyl)ethyl]benzene;ethane is CC.CCc1ccc(CCc2ccc(CCl)cc2)cc1.
What is the InChIKey of 1-(chloromethyl)-4-[2-(4-ethylphenyl)ethyl]benzene;ethane?
The InChIKey is QYZOWBCRMDLLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl.C2H6/c1-2-14-3-5-15(6-4-14)7-8-16-9-11-17(13-18)12-10-16;1-2/h3-6,9-12H,2,7-8,13H2,1H3;1-2H3.
What are the key properties of 1-(chloromethyl)-4-[2-(4-ethylphenyl)ethyl]benzene;ethane?
1-(chloromethyl)-4-[2-(4-ethylphenyl)ethyl]benzene;ethane has a molecular weight of 288.86 g/mol, XLogP of 5.80, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-4-[2-(4-ethylphenyl)ethyl]benzene;ethane is sourced from PubChem (CID 144873736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).