1,3-dichloro-2-(chloromethyl)-4,5,6-trimethoxybenzene

C10H11Cl3O3 — CID 101127360

IUPAC1,3-dichloro-2-(chloromethyl)-4,5,6-trimethoxybenzene
SMILESCOc1c(Cl)c(CCl)c(Cl)c(OC)c1OC
InChIInChI=1S/C10H11Cl3O3/c1-14-8-6(12)5(4-11)7(13)9(15-2)10(8)16-3/h4H2,1-3H3
InChIKeyWCORYRCJOUTTJR-UHFFFAOYSA-N
MW285.55 g/mol
LogP3.76
Rot. Bonds4

About 1,3-dichloro-2-(chloromethyl)-4,5,6-trimethoxybenzene

1,3-dichloro-2-(chloromethyl)-4,5,6-trimethoxybenzene (PubChem CID 101127360) has the molecular formula C10H11Cl3O3 and a molecular weight of 285.55 g/mol. Its IUPAC name is 1,3-dichloro-2-(chloromethyl)-4,5,6-trimethoxybenzene.

Molecular Properties

Compound Name1,3-dichloro-2-(chloromethyl)-4,5,6-trimethoxybenzene
PubChem CID101127360
Molecular FormulaC10H11Cl3O3
Molecular Weight285.55 g/mol
Exact Mass283.98
IUPAC Name1,3-dichloro-2-(chloromethyl)-4,5,6-trimethoxybenzene
SMILESCOc1c(Cl)c(CCl)c(Cl)c(OC)c1OC
InChIInChI=1S/C10H11Cl3O3/c1-14-8-6(12)5(4-11)7(13)9(15-2)10(8)16-3/h4H2,1-3H3
InChIKeyWCORYRCJOUTTJR-UHFFFAOYSA-N
XLogP3.76
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.55
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-dichloro-2-(chloromethyl)-4,5,6-trimethoxybenzene?
The IUPAC name of 1,3-dichloro-2-(chloromethyl)-4,5,6-trimethoxybenzene (CID 101127360) is 1,3-dichloro-2-(chloromethyl)-4,5,6-trimethoxybenzene.
What is the SMILES notation for 1,3-dichloro-2-(chloromethyl)-4,5,6-trimethoxybenzene?
The canonical SMILES for 1,3-dichloro-2-(chloromethyl)-4,5,6-trimethoxybenzene is COc1c(Cl)c(CCl)c(Cl)c(OC)c1OC.
What is the InChIKey of 1,3-dichloro-2-(chloromethyl)-4,5,6-trimethoxybenzene?
The InChIKey is WCORYRCJOUTTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl3O3/c1-14-8-6(12)5(4-11)7(13)9(15-2)10(8)16-3/h4H2,1-3H3.
What are the key properties of 1,3-dichloro-2-(chloromethyl)-4,5,6-trimethoxybenzene?
1,3-dichloro-2-(chloromethyl)-4,5,6-trimethoxybenzene has a molecular weight of 285.55 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-(chloromethyl)-4,5,6-trimethoxybenzene is sourced from PubChem (CID 101127360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).