1,5-dichloro-2-ethoxy-6-ethyl-3-(methoxymethyl)-4-propylbenzene

C15H22Cl2O2 — CID 167096024

IUPAC1,5-dichloro-2-ethoxy-6-ethyl-3-(methoxymethyl)-4-propylbenzene
SMILESCCCc1c(Cl)c(CC)c(Cl)c(OCC)c1COC
InChIInChI=1S/C15H22Cl2O2/c1-5-8-11-12(9-18-4)15(19-7-3)14(17)10(6-2)13(11)16/h5-9H2,1-4H3
InChIKeyGCONUMFAUOUTKO-UHFFFAOYSA-N
MW305.25 g/mol
LogP5.05
Rot. Bonds7

About 1,5-dichloro-2-ethoxy-6-ethyl-3-(methoxymethyl)-4-propylbenzene

1,5-dichloro-2-ethoxy-6-ethyl-3-(methoxymethyl)-4-propylbenzene (PubChem CID 167096024) has the molecular formula C15H22Cl2O2 and a molecular weight of 305.25 g/mol. Its IUPAC name is 1,5-dichloro-2-ethoxy-6-ethyl-3-(methoxymethyl)-4-propylbenzene.

Molecular Properties

Compound Name1,5-dichloro-2-ethoxy-6-ethyl-3-(methoxymethyl)-4-propylbenzene
PubChem CID167096024
Molecular FormulaC15H22Cl2O2
Molecular Weight305.25 g/mol
Exact Mass304.10
IUPAC Name1,5-dichloro-2-ethoxy-6-ethyl-3-(methoxymethyl)-4-propylbenzene
SMILESCCCc1c(Cl)c(CC)c(Cl)c(OCC)c1COC
InChIInChI=1S/C15H22Cl2O2/c1-5-8-11-12(9-18-4)15(19-7-3)14(17)10(6-2)13(11)16/h5-9H2,1-4H3
InChIKeyGCONUMFAUOUTKO-UHFFFAOYSA-N
XLogP5.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.25
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-2-ethoxy-6-ethyl-3-(methoxymethyl)-4-propylbenzene?
The IUPAC name of 1,5-dichloro-2-ethoxy-6-ethyl-3-(methoxymethyl)-4-propylbenzene (CID 167096024) is 1,5-dichloro-2-ethoxy-6-ethyl-3-(methoxymethyl)-4-propylbenzene.
What is the SMILES notation for 1,5-dichloro-2-ethoxy-6-ethyl-3-(methoxymethyl)-4-propylbenzene?
The canonical SMILES for 1,5-dichloro-2-ethoxy-6-ethyl-3-(methoxymethyl)-4-propylbenzene is CCCc1c(Cl)c(CC)c(Cl)c(OCC)c1COC.
What is the InChIKey of 1,5-dichloro-2-ethoxy-6-ethyl-3-(methoxymethyl)-4-propylbenzene?
The InChIKey is GCONUMFAUOUTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2O2/c1-5-8-11-12(9-18-4)15(19-7-3)14(17)10(6-2)13(11)16/h5-9H2,1-4H3.
What are the key properties of 1,5-dichloro-2-ethoxy-6-ethyl-3-(methoxymethyl)-4-propylbenzene?
1,5-dichloro-2-ethoxy-6-ethyl-3-(methoxymethyl)-4-propylbenzene has a molecular weight of 305.25 g/mol, XLogP of 5.05, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-2-ethoxy-6-ethyl-3-(methoxymethyl)-4-propylbenzene is sourced from PubChem (CID 167096024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).