1,5-bis(chloromethyl)-2,3,4-triethylbenzene

C14H20Cl2 — CID 142773067

IUPAC1,5-bis(chloromethyl)-2,3,4-triethylbenzene
SMILESCCc1c(CCl)cc(CCl)c(CC)c1CC
InChIInChI=1S/C14H20Cl2/c1-4-12-10(8-15)7-11(9-16)13(5-2)14(12)6-3/h7H,4-6,8-9H2,1-3H3
InChIKeyDWRCOPHCPVNXMN-UHFFFAOYSA-N
MW259.22 g/mol
LogP4.85
Rot. Bonds5

About 1,5-bis(chloromethyl)-2,3,4-triethylbenzene

1,5-bis(chloromethyl)-2,3,4-triethylbenzene (PubChem CID 142773067) has the molecular formula C14H20Cl2 and a molecular weight of 259.22 g/mol. Its IUPAC name is 1,5-bis(chloromethyl)-2,3,4-triethylbenzene.

Molecular Properties

Compound Name1,5-bis(chloromethyl)-2,3,4-triethylbenzene
PubChem CID142773067
Molecular FormulaC14H20Cl2
Molecular Weight259.22 g/mol
Exact Mass258.09
IUPAC Name1,5-bis(chloromethyl)-2,3,4-triethylbenzene
SMILESCCc1c(CCl)cc(CCl)c(CC)c1CC
InChIInChI=1S/C14H20Cl2/c1-4-12-10(8-15)7-11(9-16)13(5-2)14(12)6-3/h7H,4-6,8-9H2,1-3H3
InChIKeyDWRCOPHCPVNXMN-UHFFFAOYSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 54.85
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

(2,3,4,5-tetraethylphenyl)methanamine;hydrochloride
CID 173013560
1-(chloromethyl)-2-ethyl-3,5-bis(trifluoromethyl)benzene
CID 135742809
1-(chloromethyl)-2-ethylbenzene
CID 524243
1,3,5-tris(chloromethyl)-2,4-dimethylbenzene
CID 4130329
tetrakis(1,2,3,4-tetraethyl-5-methanidylbenzene);titanium(4+)
CID 173443489
1-(chloromethyl)-2-methylbenzene
CID 11093
trimethyl-(2,3,4,5-tetraethylphenyl)silane
CID 102218782
1,4-bis(chloromethyl)-2,5-didodecylbenzene
CID 71381372
CID 88723030
CID 88723030
4-(chloromethyl)-3-ethyl-2-iodo-1-benzothiophene
CID 131218656
2-(chloromethyl)-6-ethylaniline;hydrochloride
CID 13350301
1-[2-(chloromethyl)phenyl]-2,4-dimethylbenzene
CID 43840277

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(chloromethyl)-2,3,4-triethylbenzene?
The IUPAC name of 1,5-bis(chloromethyl)-2,3,4-triethylbenzene (CID 142773067) is 1,5-bis(chloromethyl)-2,3,4-triethylbenzene.
What is the SMILES notation for 1,5-bis(chloromethyl)-2,3,4-triethylbenzene?
The canonical SMILES for 1,5-bis(chloromethyl)-2,3,4-triethylbenzene is CCc1c(CCl)cc(CCl)c(CC)c1CC.
What is the InChIKey of 1,5-bis(chloromethyl)-2,3,4-triethylbenzene?
The InChIKey is DWRCOPHCPVNXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2/c1-4-12-10(8-15)7-11(9-16)13(5-2)14(12)6-3/h7H,4-6,8-9H2,1-3H3.
What are the key properties of 1,5-bis(chloromethyl)-2,3,4-triethylbenzene?
1,5-bis(chloromethyl)-2,3,4-triethylbenzene has a molecular weight of 259.22 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(chloromethyl)-2,3,4-triethylbenzene is sourced from PubChem (CID 142773067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).