1,4-bis(2-chloroethyl)-2,3,5,6-tetramethylbenzene

C14H20Cl2 — CID 91872066

IUPAC1,4-bis(2-chloroethyl)-2,3,5,6-tetramethylbenzene
SMILESCc1c(C)c(CCCl)c(C)c(C)c1CCCl
InChIInChI=1S/C14H20Cl2/c1-9-10(2)14(6-8-16)12(4)11(3)13(9)5-7-15/h5-8H2,1-4H3
InChIKeyIPNWJPDIIVEARW-UHFFFAOYSA-N
MW259.22 g/mol
LogP4.48
Rot. Bonds4

About 1,4-bis(2-chloroethyl)-2,3,5,6-tetramethylbenzene

1,4-bis(2-chloroethyl)-2,3,5,6-tetramethylbenzene (PubChem CID 91872066) has the molecular formula C14H20Cl2 and a molecular weight of 259.22 g/mol. Its IUPAC name is 1,4-bis(2-chloroethyl)-2,3,5,6-tetramethylbenzene.

Molecular Properties

Compound Name1,4-bis(2-chloroethyl)-2,3,5,6-tetramethylbenzene
PubChem CID91872066
Molecular FormulaC14H20Cl2
Molecular Weight259.22 g/mol
Exact Mass258.09
IUPAC Name1,4-bis(2-chloroethyl)-2,3,5,6-tetramethylbenzene
SMILESCc1c(C)c(CCCl)c(C)c(C)c1CCCl
InChIInChI=1S/C14H20Cl2/c1-9-10(2)14(6-8-16)12(4)11(3)13(9)5-7-15/h5-8H2,1-4H3
InChIKeyIPNWJPDIIVEARW-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 54.48
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

3-(2-chloroethyl)-1,2,4,5-tetramethylbenzene
CID 53403936
3,6-bis(chloromethyl)-4,5-dimethylbenzene-1,2-diol
CID 86201321
2-(2,3,4,5,6-pentamethylphenyl)ethanamine;hydrochloride
CID 2806687
1-(2-chloroethyl)-2-methylcyclopropene
CID 13040279
3-(2,3,4,5,6-pentamethylphenyl)propan-1-amine
CID 59138114
5-(2-chloroethyl)-6-methyl-2-sulfanylidene-1H-pyrimidin-4-one
CID 10703406
trichloro-[2-[2,4,6-trimethyl-3,5-bis(2-trichlorosilylethyl)phenyl]ethyl]silane
CID 57374289
1,3,5-tris(2-bromoethyl)-2,4,6-trimethylbenzene
CID 87214432
1,3,5-tributyl-2,4,6-trimethylbenzene
CID 123628431
4-chloro-5-(2-chloroethyl)-2,6-dimethylpyrimidine
CID 94077114
4-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole;hydrochloride
CID 131860379
1,2,3-trichloro-4-(chloromethyl)-5,6-dimethylbenzene
CID 164664880

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(2-chloroethyl)-2,3,5,6-tetramethylbenzene?
The IUPAC name of 1,4-bis(2-chloroethyl)-2,3,5,6-tetramethylbenzene (CID 91872066) is 1,4-bis(2-chloroethyl)-2,3,5,6-tetramethylbenzene.
What is the SMILES notation for 1,4-bis(2-chloroethyl)-2,3,5,6-tetramethylbenzene?
The canonical SMILES for 1,4-bis(2-chloroethyl)-2,3,5,6-tetramethylbenzene is Cc1c(C)c(CCCl)c(C)c(C)c1CCCl.
What is the InChIKey of 1,4-bis(2-chloroethyl)-2,3,5,6-tetramethylbenzene?
The InChIKey is IPNWJPDIIVEARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2/c1-9-10(2)14(6-8-16)12(4)11(3)13(9)5-7-15/h5-8H2,1-4H3.
What are the key properties of 1,4-bis(2-chloroethyl)-2,3,5,6-tetramethylbenzene?
1,4-bis(2-chloroethyl)-2,3,5,6-tetramethylbenzene has a molecular weight of 259.22 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(2-chloroethyl)-2,3,5,6-tetramethylbenzene is sourced from PubChem (CID 91872066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).