1-[[3,5-bis(chloromethyl)-2-methylphenyl]methyl]-3,5-bis(chloromethyl)-2-methylbenzene

C19H20Cl4 — CID 21043178

IUPAC1-[[3,5-bis(chloromethyl)-2-methylphenyl]methyl]-3,5-bis(chloromethyl)-2-methylbenzene
SMILESCc1c(CCl)cc(CCl)cc1Cc1cc(CCl)cc(CCl)c1C
InChIInChI=1S/C19H20Cl4/c1-12-16(3-14(8-20)5-18(12)10-22)7-17-4-15(9-21)6-19(11-23)13(17)2/h3-6H,7-11H2,1-2H3
InChIKeyYUYRVLPKGYHRGS-UHFFFAOYSA-N
MW390.18 g/mol
LogP6.85
Rot. Bonds6

About 1-[[3,5-bis(chloromethyl)-2-methylphenyl]methyl]-3,5-bis(chloromethyl)-2-methylbenzene

1-[[3,5-bis(chloromethyl)-2-methylphenyl]methyl]-3,5-bis(chloromethyl)-2-methylbenzene (PubChem CID 21043178) has the molecular formula C19H20Cl4 and a molecular weight of 390.18 g/mol. Its IUPAC name is 1-[[3,5-bis(chloromethyl)-2-methylphenyl]methyl]-3,5-bis(chloromethyl)-2-methylbenzene.

Molecular Properties

Compound Name1-[[3,5-bis(chloromethyl)-2-methylphenyl]methyl]-3,5-bis(chloromethyl)-2-methylbenzene
PubChem CID21043178
Molecular FormulaC19H20Cl4
Molecular Weight390.18 g/mol
Exact Mass388.03
IUPAC Name1-[[3,5-bis(chloromethyl)-2-methylphenyl]methyl]-3,5-bis(chloromethyl)-2-methylbenzene
SMILESCc1c(CCl)cc(CCl)cc1Cc1cc(CCl)cc(CCl)c1C
InChIInChI=1S/C19H20Cl4/c1-12-16(3-14(8-20)5-18(12)10-22)7-17-4-15(9-21)6-19(11-23)13(17)2/h3-6H,7-11H2,1-2H3
InChIKeyYUYRVLPKGYHRGS-UHFFFAOYSA-N
XLogP6.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.18
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[3,5-bis(chloromethyl)-2-methylphenyl]methyl]-3,5-bis(chloromethyl)-2-methylbenzene?
The IUPAC name of 1-[[3,5-bis(chloromethyl)-2-methylphenyl]methyl]-3,5-bis(chloromethyl)-2-methylbenzene (CID 21043178) is 1-[[3,5-bis(chloromethyl)-2-methylphenyl]methyl]-3,5-bis(chloromethyl)-2-methylbenzene.
What is the SMILES notation for 1-[[3,5-bis(chloromethyl)-2-methylphenyl]methyl]-3,5-bis(chloromethyl)-2-methylbenzene?
The canonical SMILES for 1-[[3,5-bis(chloromethyl)-2-methylphenyl]methyl]-3,5-bis(chloromethyl)-2-methylbenzene is Cc1c(CCl)cc(CCl)cc1Cc1cc(CCl)cc(CCl)c1C.
What is the InChIKey of 1-[[3,5-bis(chloromethyl)-2-methylphenyl]methyl]-3,5-bis(chloromethyl)-2-methylbenzene?
The InChIKey is YUYRVLPKGYHRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl4/c1-12-16(3-14(8-20)5-18(12)10-22)7-17-4-15(9-21)6-19(11-23)13(17)2/h3-6H,7-11H2,1-2H3.
What are the key properties of 1-[[3,5-bis(chloromethyl)-2-methylphenyl]methyl]-3,5-bis(chloromethyl)-2-methylbenzene?
1-[[3,5-bis(chloromethyl)-2-methylphenyl]methyl]-3,5-bis(chloromethyl)-2-methylbenzene has a molecular weight of 390.18 g/mol, XLogP of 6.85, 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)-2-methylphenyl]methyl]-3,5-bis(chloromethyl)-2-methylbenzene is sourced from PubChem (CID 21043178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).