1-[[3,5-bis(chloromethyl)phenyl]methyl]-3,5-bis(chloromethyl)benzene

C17H16Cl4 — CID 21043179

IUPAC1-[[3,5-bis(chloromethyl)phenyl]methyl]-3,5-bis(chloromethyl)benzene
SMILESClCc1cc(CCl)cc(Cc2cc(CCl)cc(CCl)c2)c1
InChIInChI=1S/C17H16Cl4/c18-8-14-2-12(3-15(6-14)9-19)1-13-4-16(10-20)7-17(5-13)11-21/h2-7H,1,8-11H2
InChIKeyUZJLXIBMBKUQCC-UHFFFAOYSA-N
MW362.13 g/mol
LogP6.23
Rot. Bonds6

About 1-[[3,5-bis(chloromethyl)phenyl]methyl]-3,5-bis(chloromethyl)benzene

1-[[3,5-bis(chloromethyl)phenyl]methyl]-3,5-bis(chloromethyl)benzene (PubChem CID 21043179) has the molecular formula C17H16Cl4 and a molecular weight of 362.13 g/mol. Its IUPAC name is 1-[[3,5-bis(chloromethyl)phenyl]methyl]-3,5-bis(chloromethyl)benzene.

Molecular Properties

Compound Name1-[[3,5-bis(chloromethyl)phenyl]methyl]-3,5-bis(chloromethyl)benzene
PubChem CID21043179
Molecular FormulaC17H16Cl4
Molecular Weight362.13 g/mol
Exact Mass360.00
IUPAC Name1-[[3,5-bis(chloromethyl)phenyl]methyl]-3,5-bis(chloromethyl)benzene
SMILESClCc1cc(CCl)cc(Cc2cc(CCl)cc(CCl)c2)c1
InChIInChI=1S/C17H16Cl4/c18-8-14-2-12(3-15(6-14)9-19)1-13-4-16(10-20)7-17(5-13)11-21/h2-7H,1,8-11H2
InChIKeyUZJLXIBMBKUQCC-UHFFFAOYSA-N
XLogP6.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.13
LogP ≤ 56.23
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-chloro-3,5-bis(chloromethyl)benzene
CID 21444183
2,7-bis(chloromethyl)pyrene
CID 139627450
1-(chloromethyl)-3,5-dimethylbenzene;silane
CID 160884326
1-[[3,5-bis(chloromethyl)-2-methylphenyl]methyl]-3,5-bis(chloromethyl)-2-methylbenzene
CID 21043178
2-(chloromethyl)azulene
CID 58786145
1-[[4-[[3,5-bis(chloromethyl)phenoxy]methyl]phenyl]methoxy]-3,5-bis(chloromethyl)benzene
CID 15131184
1-(chloromethyl)-4-[(4-methylphenyl)methyl]benzene
CID 22408145
1-(chloromethyl)-3-(3-chloropropyl)-5-methylbenzene
CID 131432314
1,3-bis(chloromethyl)-5-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)benzene
CID 123136322
1-butoxy-3,5-bis(chloromethyl)benzene
CID 89058586
5-(chloromethyl)-1,2-difluoro-3-methoxybenzene
CID 130938766
1,3,5-tris[[3-[(3-benzylphenyl)methyl]phenyl]methyl]benzene
CID 100946405

Frequently Asked Questions

What is the IUPAC name of 1-[[3,5-bis(chloromethyl)phenyl]methyl]-3,5-bis(chloromethyl)benzene?
The IUPAC name of 1-[[3,5-bis(chloromethyl)phenyl]methyl]-3,5-bis(chloromethyl)benzene (CID 21043179) is 1-[[3,5-bis(chloromethyl)phenyl]methyl]-3,5-bis(chloromethyl)benzene.
What is the SMILES notation for 1-[[3,5-bis(chloromethyl)phenyl]methyl]-3,5-bis(chloromethyl)benzene?
The canonical SMILES for 1-[[3,5-bis(chloromethyl)phenyl]methyl]-3,5-bis(chloromethyl)benzene is ClCc1cc(CCl)cc(Cc2cc(CCl)cc(CCl)c2)c1.
What is the InChIKey of 1-[[3,5-bis(chloromethyl)phenyl]methyl]-3,5-bis(chloromethyl)benzene?
The InChIKey is UZJLXIBMBKUQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl4/c18-8-14-2-12(3-15(6-14)9-19)1-13-4-16(10-20)7-17(5-13)11-21/h2-7H,1,8-11H2.
What are the key properties of 1-[[3,5-bis(chloromethyl)phenyl]methyl]-3,5-bis(chloromethyl)benzene?
1-[[3,5-bis(chloromethyl)phenyl]methyl]-3,5-bis(chloromethyl)benzene has a molecular weight of 362.13 g/mol, XLogP of 6.23, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3,5-bis(chloromethyl)phenyl]methyl]-3,5-bis(chloromethyl)benzene is sourced from PubChem (CID 21043179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).