5-methoxy-2-(3-methoxypropoxy)-1,3-dimethylbenzene

C13H20O3 — CID 22963239

IUPAC5-methoxy-2-(3-methoxypropoxy)-1,3-dimethylbenzene
SMILESCOCCCOc1c(C)cc(OC)cc1C
InChIInChI=1S/C13H20O3/c1-10-8-12(15-4)9-11(2)13(10)16-7-5-6-14-3/h8-9H,5-7H2,1-4H3
InChIKeyZBNPKOGQRSAQIH-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.73
Rot. Bonds6

About 5-methoxy-2-(3-methoxypropoxy)-1,3-dimethylbenzene

5-methoxy-2-(3-methoxypropoxy)-1,3-dimethylbenzene (PubChem CID 22963239) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 5-methoxy-2-(3-methoxypropoxy)-1,3-dimethylbenzene.

Molecular Properties

Compound Name5-methoxy-2-(3-methoxypropoxy)-1,3-dimethylbenzene
PubChem CID22963239
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name5-methoxy-2-(3-methoxypropoxy)-1,3-dimethylbenzene
SMILESCOCCCOc1c(C)cc(OC)cc1C
InChIInChI=1S/C13H20O3/c1-10-8-12(15-4)9-11(2)13(10)16-7-5-6-14-3/h8-9H,5-7H2,1-4H3
InChIKeyZBNPKOGQRSAQIH-UHFFFAOYSA-N
XLogP2.73
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(3-methoxypropoxy)-1,3-dimethylbenzene?
The IUPAC name of 5-methoxy-2-(3-methoxypropoxy)-1,3-dimethylbenzene (CID 22963239) is 5-methoxy-2-(3-methoxypropoxy)-1,3-dimethylbenzene.
What is the SMILES notation for 5-methoxy-2-(3-methoxypropoxy)-1,3-dimethylbenzene?
The canonical SMILES for 5-methoxy-2-(3-methoxypropoxy)-1,3-dimethylbenzene is COCCCOc1c(C)cc(OC)cc1C.
What is the InChIKey of 5-methoxy-2-(3-methoxypropoxy)-1,3-dimethylbenzene?
The InChIKey is ZBNPKOGQRSAQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-10-8-12(15-4)9-11(2)13(10)16-7-5-6-14-3/h8-9H,5-7H2,1-4H3.
What are the key properties of 5-methoxy-2-(3-methoxypropoxy)-1,3-dimethylbenzene?
5-methoxy-2-(3-methoxypropoxy)-1,3-dimethylbenzene has a molecular weight of 224.30 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(3-methoxypropoxy)-1,3-dimethylbenzene is sourced from PubChem (CID 22963239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).