2,4-dichloro-1,5-diethoxy-3-methylbenzene

C11H14Cl2O2 — CID 90436867

IUPAC2,4-dichloro-1,5-diethoxy-3-methylbenzene
SMILESCCOc1cc(OCC)c(Cl)c(C)c1Cl
InChIInChI=1S/C11H14Cl2O2/c1-4-14-8-6-9(15-5-2)11(13)7(3)10(8)12/h6H,4-5H2,1-3H3
InChIKeyFNUFOABHQQQPKZ-UHFFFAOYSA-N
MW249.14 g/mol
LogP4.10
Rot. Bonds4

About 2,4-dichloro-1,5-diethoxy-3-methylbenzene

2,4-dichloro-1,5-diethoxy-3-methylbenzene (PubChem CID 90436867) has the molecular formula C11H14Cl2O2 and a molecular weight of 249.14 g/mol. Its IUPAC name is 2,4-dichloro-1,5-diethoxy-3-methylbenzene.

Molecular Properties

Compound Name2,4-dichloro-1,5-diethoxy-3-methylbenzene
PubChem CID90436867
Molecular FormulaC11H14Cl2O2
Molecular Weight249.14 g/mol
Exact Mass248.04
IUPAC Name2,4-dichloro-1,5-diethoxy-3-methylbenzene
SMILESCCOc1cc(OCC)c(Cl)c(C)c1Cl
InChIInChI=1S/C11H14Cl2O2/c1-4-14-8-6-9(15-5-2)11(13)7(3)10(8)12/h6H,4-5H2,1-3H3
InChIKeyFNUFOABHQQQPKZ-UHFFFAOYSA-N
XLogP4.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1,5-diethoxy-3-methylbenzene?
The IUPAC name of 2,4-dichloro-1,5-diethoxy-3-methylbenzene (CID 90436867) is 2,4-dichloro-1,5-diethoxy-3-methylbenzene.
What is the SMILES notation for 2,4-dichloro-1,5-diethoxy-3-methylbenzene?
The canonical SMILES for 2,4-dichloro-1,5-diethoxy-3-methylbenzene is CCOc1cc(OCC)c(Cl)c(C)c1Cl.
What is the InChIKey of 2,4-dichloro-1,5-diethoxy-3-methylbenzene?
The InChIKey is FNUFOABHQQQPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2O2/c1-4-14-8-6-9(15-5-2)11(13)7(3)10(8)12/h6H,4-5H2,1-3H3.
What are the key properties of 2,4-dichloro-1,5-diethoxy-3-methylbenzene?
2,4-dichloro-1,5-diethoxy-3-methylbenzene has a molecular weight of 249.14 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1,5-diethoxy-3-methylbenzene is sourced from PubChem (CID 90436867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).