4-[3,4-bis(chloromethyl)phenyl]-1,2-bis(chloromethyl)benzene

C16H14Cl4 — CID 151301065

IUPAC4-[3,4-bis(chloromethyl)phenyl]-1,2-bis(chloromethyl)benzene
SMILESClCc1ccc(-c2ccc(CCl)c(CCl)c2)cc1CCl
InChIInChI=1S/C16H14Cl4/c17-7-13-3-1-11(5-15(13)9-19)12-2-4-14(8-18)16(6-12)10-20/h1-6H,7-10H2
InChIKeyOCKXCGDRZUUWIQ-UHFFFAOYSA-N
MW348.10 g/mol
LogP6.31
Rot. Bonds5

About 4-[3,4-bis(chloromethyl)phenyl]-1,2-bis(chloromethyl)benzene

4-[3,4-bis(chloromethyl)phenyl]-1,2-bis(chloromethyl)benzene (PubChem CID 151301065) has the molecular formula C16H14Cl4 and a molecular weight of 348.10 g/mol. Its IUPAC name is 4-[3,4-bis(chloromethyl)phenyl]-1,2-bis(chloromethyl)benzene.

Molecular Properties

Compound Name4-[3,4-bis(chloromethyl)phenyl]-1,2-bis(chloromethyl)benzene
PubChem CID151301065
Molecular FormulaC16H14Cl4
Molecular Weight348.10 g/mol
Exact Mass345.98
IUPAC Name4-[3,4-bis(chloromethyl)phenyl]-1,2-bis(chloromethyl)benzene
SMILESClCc1ccc(-c2ccc(CCl)c(CCl)c2)cc1CCl
InChIInChI=1S/C16H14Cl4/c17-7-13-3-1-11(5-15(13)9-19)12-2-4-14(8-18)16(6-12)10-20/h1-6H,7-10H2
InChIKeyOCKXCGDRZUUWIQ-UHFFFAOYSA-N
XLogP6.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.10
LogP ≤ 56.31
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 4-[3,4-bis(chloromethyl)phenyl]-1,2-bis(chloromethyl)benzene?
The IUPAC name of 4-[3,4-bis(chloromethyl)phenyl]-1,2-bis(chloromethyl)benzene (CID 151301065) is 4-[3,4-bis(chloromethyl)phenyl]-1,2-bis(chloromethyl)benzene.
What is the SMILES notation for 4-[3,4-bis(chloromethyl)phenyl]-1,2-bis(chloromethyl)benzene?
The canonical SMILES for 4-[3,4-bis(chloromethyl)phenyl]-1,2-bis(chloromethyl)benzene is ClCc1ccc(-c2ccc(CCl)c(CCl)c2)cc1CCl.
What is the InChIKey of 4-[3,4-bis(chloromethyl)phenyl]-1,2-bis(chloromethyl)benzene?
The InChIKey is OCKXCGDRZUUWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl4/c17-7-13-3-1-11(5-15(13)9-19)12-2-4-14(8-18)16(6-12)10-20/h1-6H,7-10H2.
What are the key properties of 4-[3,4-bis(chloromethyl)phenyl]-1,2-bis(chloromethyl)benzene?
4-[3,4-bis(chloromethyl)phenyl]-1,2-bis(chloromethyl)benzene has a molecular weight of 348.10 g/mol, XLogP of 6.31, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,4-bis(chloromethyl)phenyl]-1,2-bis(chloromethyl)benzene is sourced from PubChem (CID 151301065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).